N-[3-[(3-methyl-1,3-thiazol-2-ylidene)carbamoyl]phenyl]thiophene-2-carboxamide

C16H13N3O2S2 — CID 39964667

IUPACN-[3-[(3-methyl-1,3-thiazol-2-ylidene)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCn1ccs/c1=N\C(=O)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C16H13N3O2S2/c1-19-7-9-23-16(19)18-14(20)11-4-2-5-12(10-11)17-15(21)13-6-3-8-22-13/h2-10H,1H3,(H,17,21)/b18-16-
InChIKeyGQIMNENISBQIOU-VLGSPTGOSA-N
MW343.43 g/mol
LogP3.14
Rot. Bonds3

About N-[3-[(3-methyl-1,3-thiazol-2-ylidene)carbamoyl]phenyl]thiophene-2-carboxamide

N-[3-[(3-methyl-1,3-thiazol-2-ylidene)carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 39964667) has the molecular formula C16H13N3O2S2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[3-[(3-methyl-1,3-thiazol-2-ylidene)carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-methyl-1,3-thiazol-2-ylidene)carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID39964667
Molecular FormulaC16H13N3O2S2
Molecular Weight343.43 g/mol
Exact Mass343.04
IUPAC NameN-[3-[(3-methyl-1,3-thiazol-2-ylidene)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCn1ccs/c1=N\C(=O)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C16H13N3O2S2/c1-19-7-9-23-16(19)18-14(20)11-4-2-5-12(10-11)17-15(21)13-6-3-8-22-13/h2-10H,1H3,(H,17,21)/b18-16-
InChIKeyGQIMNENISBQIOU-VLGSPTGOSA-N
XLogP3.14
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(dimethylamino)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 31289913
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CID 78804920
N-(3-carbamothioylphenyl)thiophene-2-carboxamide
CID 24696686
N-[3-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 46532752
N-[3-[(2,5-dimethylpyrazol-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 46412624
N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 119563326
N-[4-[(3-benzyl-1,3-thiazol-2-ylidene)carbamoyl]phenyl]thiophene-2-carboxamide
CID 18292171
N-[3-[[4-(3-methylbutanoylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 33027717
N-[3-(2-propan-2-yliminopyridine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 51328068
N-[3-[(1-amino-2-methylpropan-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119524473
N-[3-[N-[(4-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 4300167
N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55637692

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-methyl-1,3-thiazol-2-ylidene)carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[(3-methyl-1,3-thiazol-2-ylidene)carbamoyl]phenyl]thiophene-2-carboxamide (CID 39964667) is N-[3-[(3-methyl-1,3-thiazol-2-ylidene)carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(3-methyl-1,3-thiazol-2-ylidene)carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[(3-methyl-1,3-thiazol-2-ylidene)carbamoyl]phenyl]thiophene-2-carboxamide is Cn1ccs/c1=N\C(=O)c1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-[(3-methyl-1,3-thiazol-2-ylidene)carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is GQIMNENISBQIOU-VLGSPTGOSA-N. The full InChI is InChI=1S/C16H13N3O2S2/c1-19-7-9-23-16(19)18-14(20)11-4-2-5-12(10-11)17-15(21)13-6-3-8-22-13/h2-10H,1H3,(H,17,21)/b18-16-.
What are the key properties of N-[3-[(3-methyl-1,3-thiazol-2-ylidene)carbamoyl]phenyl]thiophene-2-carboxamide?
N-[3-[(3-methyl-1,3-thiazol-2-ylidene)carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-methyl-1,3-thiazol-2-ylidene)carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 39964667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).