N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]pyridine-3-carboxamide

C16H12N4OS2 — CID 940243

IUPACN-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]pyridine-3-carboxamide
SMILESO=C(NC(=S)Nc1nc(-c2ccccc2)cs1)c1cccnc1
InChIInChI=1S/C16H12N4OS2/c21-14(12-7-4-8-17-9-12)19-15(22)20-16-18-13(10-23-16)11-5-2-1-3-6-11/h1-10H,(H2,18,19,20,21,22)
InChIKeyQGMLHNNQSAGLRQ-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.33
Rot. Bonds3

About N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]pyridine-3-carboxamide

N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]pyridine-3-carboxamide (PubChem CID 940243) has the molecular formula C16H12N4OS2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]pyridine-3-carboxamide
PubChem CID940243
Molecular FormulaC16H12N4OS2
Molecular Weight340.43 g/mol
Exact Mass340.05
IUPAC NameN-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]pyridine-3-carboxamide
SMILESO=C(NC(=S)Nc1nc(-c2ccccc2)cs1)c1cccnc1
InChIInChI=1S/C16H12N4OS2/c21-14(12-7-4-8-17-9-12)19-15(22)20-16-18-13(10-23-16)11-5-2-1-3-6-11/h1-10H,(H2,18,19,20,21,22)
InChIKeyQGMLHNNQSAGLRQ-UHFFFAOYSA-N
XLogP3.33
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

Tak-715
CID 9952773
N-[4-(3,5-dimethylphenyl)-5-(4-pyridyl)-1,3-thiazol-2-yl]nicotinamide
CID 22282339
N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 790259
N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 506605
Acetamide, N-[4-[2-(2-pyridinylamino)-4-thiazolyl]phenyl]-
CID 973066
N-(4-(4-bromophenyl)thiazol-2-yl)nicotinamide
CID 1114484
3-Pyridinecarboxamide, N-(4-phenyl-2-thiazolyl)-
CID 203433
3-Pyridinecarboxamide, N-(4-(4-chlorophenyl)-2-thiazolyl)-
CID 684716
4-{[4-Amino-5-(Pyridin-3-Ylcarbonyl)-1,3-Thiazol-2-Yl]amino}benzenesulfonamide
CID 66553052
N-(4-Pyridin-2-yl-thiazol-2-yl)-benzamide
CID 4119262
[4-Amino-2-(Phenylamino)-1,3-Thiazol-5-Yl](Pyridin-3-Yl)methanone
CID 59974568
8-(2-Azanyl-1,3-Thiazol-4-Yl)-3~{h}-Pyrido[3,4-D]pyrimidin-4-One
CID 135567105

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]pyridine-3-carboxamide?
The IUPAC name of N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]pyridine-3-carboxamide (CID 940243) is N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]pyridine-3-carboxamide is O=C(NC(=S)Nc1nc(-c2ccccc2)cs1)c1cccnc1.
What is the InChIKey of N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]pyridine-3-carboxamide?
The InChIKey is QGMLHNNQSAGLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4OS2/c21-14(12-7-4-8-17-9-12)19-15(22)20-16-18-13(10-23-16)11-5-2-1-3-6-11/h1-10H,(H2,18,19,20,21,22).
What are the key properties of N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]pyridine-3-carboxamide?
N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]pyridine-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]pyridine-3-carboxamide is sourced from PubChem (CID 940243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).