N-[4-(4-fluoro-1-methylpyrazol-3-yl)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide

C20H18FN5O2S2 — CID 118618805

IUPACN-[4-(4-fluoro-1-methylpyrazol-3-yl)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCn1cc(F)c(-c2ccc(NC(=O)c3cc4sc(N5CCOCC5)nc4s3)cc2)n1
InChIInChI=1S/C20H18FN5O2S2/c1-25-11-14(21)17(24-25)12-2-4-13(5-3-12)22-18(27)15-10-16-19(29-15)23-20(30-16)26-6-8-28-9-7-26/h2-5,10-11H,6-9H2,1H3,(H,22,27)
InChIKeyIDWMFCXFTMORLU-UHFFFAOYSA-N
MW443.53 g/mol
LogP3.99
Rot. Bonds4

About N-[4-(4-fluoro-1-methylpyrazol-3-yl)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide

N-[4-(4-fluoro-1-methylpyrazol-3-yl)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 118618805) has the molecular formula C20H18FN5O2S2 and a molecular weight of 443.53 g/mol. Its IUPAC name is N-[4-(4-fluoro-1-methylpyrazol-3-yl)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluoro-1-methylpyrazol-3-yl)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID118618805
Molecular FormulaC20H18FN5O2S2
Molecular Weight443.53 g/mol
Exact Mass443.09
IUPAC NameN-[4-(4-fluoro-1-methylpyrazol-3-yl)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCn1cc(F)c(-c2ccc(NC(=O)c3cc4sc(N5CCOCC5)nc4s3)cc2)n1
InChIInChI=1S/C20H18FN5O2S2/c1-25-11-14(21)17(24-25)12-2-4-13(5-3-12)22-18(27)15-10-16-19(29-15)23-20(30-16)26-6-8-28-9-7-26/h2-5,10-11H,6-9H2,1H3,(H,22,27)
InChIKeyIDWMFCXFTMORLU-UHFFFAOYSA-N
XLogP3.99
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluoro-1-methylpyrazol-3-yl)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[4-(4-fluoro-1-methylpyrazol-3-yl)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide (CID 118618805) is N-[4-(4-fluoro-1-methylpyrazol-3-yl)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[4-(4-fluoro-1-methylpyrazol-3-yl)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[4-(4-fluoro-1-methylpyrazol-3-yl)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide is Cn1cc(F)c(-c2ccc(NC(=O)c3cc4sc(N5CCOCC5)nc4s3)cc2)n1.
What is the InChIKey of N-[4-(4-fluoro-1-methylpyrazol-3-yl)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is IDWMFCXFTMORLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2S2/c1-25-11-14(21)17(24-25)12-2-4-13(5-3-12)22-18(27)15-10-16-19(29-15)23-20(30-16)26-6-8-28-9-7-26/h2-5,10-11H,6-9H2,1H3,(H,22,27).
What are the key properties of N-[4-(4-fluoro-1-methylpyrazol-3-yl)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide?
N-[4-(4-fluoro-1-methylpyrazol-3-yl)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 443.53 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluoro-1-methylpyrazol-3-yl)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 118618805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).