N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide

C14H14N6OS3 — CID 90510075

IUPACN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
SMILESCCSc1nnc(NC(=O)c2csc(Nc3cccc(C)n3)n2)s1
InChIInChI=1S/C14H14N6OS3/c1-3-22-14-20-19-13(24-14)18-11(21)9-7-23-12(16-9)17-10-6-4-5-8(2)15-10/h4-7H,3H2,1-2H3,(H,15,16,17)(H,18,19,21)
InChIKeyVOPRTMHBFNAJJX-UHFFFAOYSA-N
MW378.51 g/mol
LogP3.81
Rot. Bonds6

About N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 90510075) has the molecular formula C14H14N6OS3 and a molecular weight of 378.51 g/mol. Its IUPAC name is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
PubChem CID90510075
Molecular FormulaC14H14N6OS3
Molecular Weight378.51 g/mol
Exact Mass378.04
IUPAC NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
SMILESCCSc1nnc(NC(=O)c2csc(Nc3cccc(C)n3)n2)s1
InChIInChI=1S/C14H14N6OS3/c1-3-22-14-20-19-13(24-14)18-11(21)9-7-23-12(16-9)17-10-6-4-5-8(2)15-10/h4-7H,3H2,1-2H3,(H,15,16,17)(H,18,19,21)
InChIKeyVOPRTMHBFNAJJX-UHFFFAOYSA-N
XLogP3.81
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.51
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

Analyze N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(4-bromophenyl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
CID 90510013
ethyl 2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxylate
CID 52903989
N-[5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-6-methylpyridine-2-carboxamide
CID 31920680
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
CID 90509929
methyl 4-[[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate
CID 90510028
1-N,2-N-bis(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzene-1,2-dicarboxamide
CID 3636543
butyl 4-[[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate
CID 90510030
N-(2,6-dimethylphenyl)-2-[(6-ethyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
CID 54273764
2-(2-anilino-1,3-thiazol-4-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 30940480
2-methyl-N-(6-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 47445423
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 43854818
4-ethyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methylthiophene-3-carboxamide
CID 17218005

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide (CID 90510075) is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide is CCSc1nnc(NC(=O)c2csc(Nc3cccc(C)n3)n2)s1.
What is the InChIKey of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is VOPRTMHBFNAJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6OS3/c1-3-22-14-20-19-13(24-14)18-11(21)9-7-23-12(16-9)17-10-6-4-5-8(2)15-10/h4-7H,3H2,1-2H3,(H,15,16,17)(H,18,19,21).
What are the key properties of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide?
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 378.51 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90510075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).