5-[1-(5,7-dimethyl-1H-indol-2-yl)ethenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine

C18H20N4S — CID 163954485

IUPAC5-[1-(5,7-dimethyl-1H-indol-2-yl)ethenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
SMILESC=C(c1cc2cc(C)cc(C)c2[nH]1)N1CCc2nc(N)sc2C1
InChIInChI=1S/C18H20N4S/c1-10-6-11(2)17-13(7-10)8-15(20-17)12(3)22-5-4-14-16(9-22)23-18(19)21-14/h6-8,20H,3-5,9H2,1-2H3,(H2,19,21)
InChIKeySCDSQOLRYCTKFD-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.85
Rot. Bonds2

About 5-[1-(5,7-dimethyl-1H-indol-2-yl)ethenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine

5-[1-(5,7-dimethyl-1H-indol-2-yl)ethenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine (PubChem CID 163954485) has the molecular formula C18H20N4S and a molecular weight of 324.45 g/mol. Its IUPAC name is 5-[1-(5,7-dimethyl-1H-indol-2-yl)ethenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine.

Molecular Properties

Compound Name5-[1-(5,7-dimethyl-1H-indol-2-yl)ethenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
PubChem CID163954485
Molecular FormulaC18H20N4S
Molecular Weight324.45 g/mol
Exact Mass324.14
IUPAC Name5-[1-(5,7-dimethyl-1H-indol-2-yl)ethenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
SMILESC=C(c1cc2cc(C)cc(C)c2[nH]1)N1CCc2nc(N)sc2C1
InChIInChI=1S/C18H20N4S/c1-10-6-11(2)17-13(7-10)8-15(20-17)12(3)22-5-4-14-16(9-22)23-18(19)21-14/h6-8,20H,3-5,9H2,1-2H3,(H2,19,21)
InChIKeySCDSQOLRYCTKFD-UHFFFAOYSA-N
XLogP3.85
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-(4-ethyl-7-fluoro-1H-indol-2-yl)ethenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 163788439
(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-(6-fluoro-4-methyl-1H-indol-2-yl)methanone
CID 142576436
(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
CID 70715252
N-[5-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide
CID 172661454
(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[4-(hydroxymethyl)-1H-indol-2-yl]methanone
CID 142576547
(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[4-(difluoromethyl)-1H-indol-2-yl]methanone
CID 142576431
CID 88582272
CID 88582272
(7-chloro-1H-indol-2-yl)-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone
CID 142576176
(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-(4-cyclopropyl-1H-indol-2-yl)methanone
CID 142576340
1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-(4-methoxyphenyl)ethanone
CID 28505303
5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 16795413
5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;molecular fluorine;hydrofluoride
CID 157311752

Frequently Asked Questions

What is the IUPAC name of 5-[1-(5,7-dimethyl-1H-indol-2-yl)ethenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The IUPAC name of 5-[1-(5,7-dimethyl-1H-indol-2-yl)ethenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine (CID 163954485) is 5-[1-(5,7-dimethyl-1H-indol-2-yl)ethenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine.
What is the SMILES notation for 5-[1-(5,7-dimethyl-1H-indol-2-yl)ethenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The canonical SMILES for 5-[1-(5,7-dimethyl-1H-indol-2-yl)ethenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine is C=C(c1cc2cc(C)cc(C)c2[nH]1)N1CCc2nc(N)sc2C1.
What is the InChIKey of 5-[1-(5,7-dimethyl-1H-indol-2-yl)ethenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The InChIKey is SCDSQOLRYCTKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4S/c1-10-6-11(2)17-13(7-10)8-15(20-17)12(3)22-5-4-14-16(9-22)23-18(19)21-14/h6-8,20H,3-5,9H2,1-2H3,(H2,19,21).
What are the key properties of 5-[1-(5,7-dimethyl-1H-indol-2-yl)ethenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine?
5-[1-(5,7-dimethyl-1H-indol-2-yl)ethenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine has a molecular weight of 324.45 g/mol, XLogP of 3.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(5,7-dimethyl-1H-indol-2-yl)ethenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine is sourced from PubChem (CID 163954485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).