N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

C16H19N3OS — CID 61482479

IUPACN-(4-propan-2-yl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESCC(C)c1csc(NC(=O)c2ccc3c(c2)CCCN3)n1
InChIInChI=1S/C16H19N3OS/c1-10(2)14-9-21-16(18-14)19-15(20)12-5-6-13-11(8-12)4-3-7-17-13/h5-6,8-10,17H,3-4,7H2,1-2H3,(H,18,19,20)
InChIKeyZDEDFSOCUMZDGF-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.88
Rot. Bonds3

About N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide (PubChem CID 61482479) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-yl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
PubChem CID61482479
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC NameN-(4-propan-2-yl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESCC(C)c1csc(NC(=O)c2ccc3c(c2)CCCN3)n1
InChIInChI=1S/C16H19N3OS/c1-10(2)14-9-21-16(18-14)19-15(20)12-5-6-13-11(8-12)4-3-7-17-13/h5-6,8-10,17H,3-4,7H2,1-2H3,(H,18,19,20)
InChIKeyZDEDFSOCUMZDGF-UHFFFAOYSA-N
XLogP3.88
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 61482478
2-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-dihydroindole-6-carboxamide
CID 102712241
N-(4,6-dimethylpyrimidin-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325681
(2S)-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 78967710
3-amino-4-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 61479829
N-[(1S)-1-pyridin-4-ylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 81394978
(2R)-3-methyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid
CID 79009724
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61285006
3-methyl-4-(methylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 63213843
N-[(1S)-1-cyclohexylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 81389029
N-(6-methylheptan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61252678
N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 46674310

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The IUPAC name of N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide (CID 61482479) is N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide.
What is the SMILES notation for N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The canonical SMILES for N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide is CC(C)c1csc(NC(=O)c2ccc3c(c2)CCCN3)n1.
What is the InChIKey of N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The InChIKey is ZDEDFSOCUMZDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-10(2)14-9-21-16(18-14)19-15(20)12-5-6-13-11(8-12)4-3-7-17-13/h5-6,8-10,17H,3-4,7H2,1-2H3,(H,18,19,20).
What are the key properties of N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide has a molecular weight of 301.42 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide is sourced from PubChem (CID 61482479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).