N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylquinoline-4-carboxamide

C14H13N3OS — CID 2117314

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NC2=NCCS2)c2ccccc2n1
InChIInChI=1S/C14H13N3OS/c1-9-8-11(10-4-2-3-5-12(10)16-9)13(18)17-14-15-6-7-19-14/h2-5,8H,6-7H2,1H3,(H,15,17,18)
InChIKeyCARHCYQDLWEMCI-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.38
Rot. Bonds1

About N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylquinoline-4-carboxamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylquinoline-4-carboxamide (PubChem CID 2117314) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylquinoline-4-carboxamide
PubChem CID2117314
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NC2=NCCS2)c2ccccc2n1
InChIInChI=1S/C14H13N3OS/c1-9-8-11(10-4-2-3-5-12(10)16-9)13(18)17-14-15-6-7-19-14/h2-5,8H,6-7H2,1H3,(H,15,17,18)
InChIKeyCARHCYQDLWEMCI-UHFFFAOYSA-N
XLogP2.38
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 4061501
2-methyl-N-(4-methyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2085562
2-tert-butyl-1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methylquinolin-4-yl)guanidine
CID 12554755
6-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide
CID 4061427
N-(2-chlorophenyl)-2-methylquinoline-4-carboxamide
CID 856039
2-methyl-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]quinoline-4-carboxamide
CID 60617448
N-(2-fluoro-4-methylphenyl)-2-methylquinoline-4-carboxamide
CID 17451783
N-(2-fluoro-5-methylphenyl)-2-methylquinoline-4-carboxamide
CID 17434472
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylfuran-3-carboxamide
CID 4063650
N-(4,5-dihydro-1,3-thiazol-2-yl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 17462030
2-methyl-N-piperidin-1-ylquinoline-4-carboxamide
CID 9271376
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 26584758

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylquinoline-4-carboxamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylquinoline-4-carboxamide (CID 2117314) is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)NC2=NCCS2)c2ccccc2n1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylquinoline-4-carboxamide?
The InChIKey is CARHCYQDLWEMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-9-8-11(10-4-2-3-5-12(10)16-9)13(18)17-14-15-6-7-19-14/h2-5,8H,6-7H2,1H3,(H,15,17,18).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylquinoline-4-carboxamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylquinoline-4-carboxamide has a molecular weight of 271.35 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 2117314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).