1-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxoquinoline-4-carboxamide

C21H17N3O2S2 — CID 55920183

IUPAC1-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxoquinoline-4-carboxamide
SMILESCc1csc(Sc2ccc(NC(=O)c3cc(=O)n(C)c4ccccc34)cc2)n1
InChIInChI=1S/C21H17N3O2S2/c1-13-12-27-21(22-13)28-15-9-7-14(8-10-15)23-20(26)17-11-19(25)24(2)18-6-4-3-5-16(17)18/h3-12H,1-2H3,(H,23,26)
InChIKeyVMICKBXISOQSCN-UHFFFAOYSA-N
MW407.52 g/mol
LogP4.71
Rot. Bonds4

About 1-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxoquinoline-4-carboxamide

1-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxoquinoline-4-carboxamide (PubChem CID 55920183) has the molecular formula C21H17N3O2S2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 1-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxoquinoline-4-carboxamide
PubChem CID55920183
Molecular FormulaC21H17N3O2S2
Molecular Weight407.52 g/mol
Exact Mass407.08
IUPAC Name1-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxoquinoline-4-carboxamide
SMILESCc1csc(Sc2ccc(NC(=O)c3cc(=O)n(C)c4ccccc34)cc2)n1
InChIInChI=1S/C21H17N3O2S2/c1-13-12-27-21(22-13)28-15-9-7-14(8-10-15)23-20(26)17-11-19(25)24(2)18-6-4-3-5-16(17)18/h3-12H,1-2H3,(H,23,26)
InChIKeyVMICKBXISOQSCN-UHFFFAOYSA-N
XLogP4.71
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-2-oxo-N-[4-(phenylcarbamoylamino)phenyl]quinoline-4-carboxamide
CID 55909182
N-(4-carbamoylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 91822577
N-[4-(dimethylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694551
1-methyl-2-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 55754361
N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 55919792
1-ethyl-2,5-dimethyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]pyrrole-3-carboxamide
CID 75416604
1-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxamide
CID 138583118
1-methyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-oxoquinoline-4-carboxamide
CID 55787470
N-(3-chlorophenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694528
3-(dimethylamino)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]benzamide
CID 60546751
N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 55993180
N-[4-(2-chlorophenoxy)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55759235

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxoquinoline-4-carboxamide?
The IUPAC name of 1-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxoquinoline-4-carboxamide (CID 55920183) is 1-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxoquinoline-4-carboxamide?
The canonical SMILES for 1-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxoquinoline-4-carboxamide is Cc1csc(Sc2ccc(NC(=O)c3cc(=O)n(C)c4ccccc34)cc2)n1.
What is the InChIKey of 1-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxoquinoline-4-carboxamide?
The InChIKey is VMICKBXISOQSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S2/c1-13-12-27-21(22-13)28-15-9-7-14(8-10-15)23-20(26)17-11-19(25)24(2)18-6-4-3-5-16(17)18/h3-12H,1-2H3,(H,23,26).
What are the key properties of 1-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxoquinoline-4-carboxamide?
1-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxoquinoline-4-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 55920183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).