6-amino-N-[2-[3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide

C21H24F2N6OS2 — CID 172539810

IUPAC6-amino-N-[2-[3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCc1nc2sc(C(=O)NC3CCc4nc(N5CC(N)C(CF)C5)cc(F)c4C3)c(N)c2s1
InChIInChI=1S/C21H24F2N6OS2/c1-9-26-21-19(31-9)17(25)18(32-21)20(30)27-11-2-3-15-12(4-11)13(23)5-16(28-15)29-7-10(6-22)14(24)8-29/h5,10-11,14H,2-4,6-8,24-25H2,1H3,(H,27,30)
InChIKeyQCTQELVDUDIMRT-UHFFFAOYSA-N
MW478.59 g/mol
LogP2.80
Rot. Bonds4

About 6-amino-N-[2-[3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide

6-amino-N-[2-[3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 172539810) has the molecular formula C21H24F2N6OS2 and a molecular weight of 478.59 g/mol. Its IUPAC name is 6-amino-N-[2-[3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name6-amino-N-[2-[3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID172539810
Molecular FormulaC21H24F2N6OS2
Molecular Weight478.59 g/mol
Exact Mass478.14
IUPAC Name6-amino-N-[2-[3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCc1nc2sc(C(=O)NC3CCc4nc(N5CC(N)C(CF)C5)cc(F)c4C3)c(N)c2s1
InChIInChI=1S/C21H24F2N6OS2/c1-9-26-21-19(31-9)17(25)18(32-21)20(30)27-11-2-3-15-12(4-11)13(23)5-16(28-15)29-7-10(6-22)14(24)8-29/h5,10-11,14H,2-4,6-8,24-25H2,1H3,(H,27,30)
InChIKeyQCTQELVDUDIMRT-UHFFFAOYSA-N
XLogP2.80
TPSA110.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-amino-N-[2-[3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide with MolForge

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Related Compounds

7-amino-N-[2-[3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 172540361
6-amino-N-[2-[3-(fluoromethyl)-4-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 172539854
6-amino-N-[2-[3-amino-4-(2-methoxyethoxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 172540335
7-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 172540470
3-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 172540504
5-amino-N-(4-fluoro-2-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl)-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 172539755
6-amino-N-[2-[3-amino-4-(1-methoxy-2-methylpropan-2-yl)oxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 146348723
3-amino-N-[(6R)-2-[(3R,4R)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 166493053
6-amino-N-[2-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 146349561
3-amino-N-[2-[3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 172540041
3-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 137480369
5-amino-N-[2-[3-amino-4-(ethoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 172539870

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[2-[3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of 6-amino-N-[2-[3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide (CID 172539810) is 6-amino-N-[2-[3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 6-amino-N-[2-[3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 6-amino-N-[2-[3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide is Cc1nc2sc(C(=O)NC3CCc4nc(N5CC(N)C(CF)C5)cc(F)c4C3)c(N)c2s1.
What is the InChIKey of 6-amino-N-[2-[3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is QCTQELVDUDIMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N6OS2/c1-9-26-21-19(31-9)17(25)18(32-21)20(30)27-11-2-3-15-12(4-11)13(23)5-16(28-15)29-7-10(6-22)14(24)8-29/h5,10-11,14H,2-4,6-8,24-25H2,1H3,(H,27,30).
What are the key properties of 6-amino-N-[2-[3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide?
6-amino-N-[2-[3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 478.59 g/mol, XLogP of 2.80, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[2-[3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 172539810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).