N-[4-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C17H17N5O2S — CID 167797101

IUPACN-[4-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCn1ccnc1-c1csc(NC(=O)c2cc3c([nH]c2=O)CCCC3)n1
InChIInChI=1S/C17H17N5O2S/c1-22-7-6-18-14(22)13-9-25-17(20-13)21-16(24)11-8-10-4-2-3-5-12(10)19-15(11)23/h6-9H,2-5H2,1H3,(H,19,23)(H,20,21,24)
InChIKeyDCCRNTAYFDIFCS-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.36
Rot. Bonds3

About N-[4-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

N-[4-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 167797101) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[4-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID167797101
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC NameN-[4-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCn1ccnc1-c1csc(NC(=O)c2cc3c([nH]c2=O)CCCC3)n1
InChIInChI=1S/C17H17N5O2S/c1-22-7-6-18-14(22)13-9-25-17(20-13)21-16(24)11-8-10-4-2-3-5-12(10)19-15(11)23/h6-9H,2-5H2,1H3,(H,19,23)(H,20,21,24)
InChIKeyDCCRNTAYFDIFCS-UHFFFAOYSA-N
XLogP2.36
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dimethyl-N-[4-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide
CID 167936632
5-methyl-N-[4-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 167960553
3-[2-(methylamino)-1,3-thiazol-4-yl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 82522670
N-[(1R)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 95201180
N-[4-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
CID 126771267
N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 84593131
N-(5-chloro-2-methylphenyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 66495704
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56564971
2-oxo-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 91761150
1-methyl-6-oxo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]pyridazine-3-carboxamide
CID 8023683
N-[2-(ethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride
CID 119508881
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 71937612

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-[4-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 167797101) is N-[4-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[4-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[4-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is Cn1ccnc1-c1csc(NC(=O)c2cc3c([nH]c2=O)CCCC3)n1.
What is the InChIKey of N-[4-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is DCCRNTAYFDIFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-22-7-6-18-14(22)13-9-25-17(20-13)21-16(24)11-8-10-4-2-3-5-12(10)19-15(11)23/h6-9H,2-5H2,1H3,(H,19,23)(H,20,21,24).
What are the key properties of N-[4-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
N-[4-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 167797101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).