N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide

C15H14N4OS3 — CID 43854818

IUPACN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
SMILESCCSc1nnc(NC(=O)c2nc(C)sc2-c2ccccc2)s1
InChIInChI=1S/C15H14N4OS3/c1-3-21-15-19-18-14(23-15)17-13(20)11-12(22-9(2)16-11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,17,18,20)
InChIKeyYYXAVEVFPXJDQA-UHFFFAOYSA-N
MW362.51 g/mol
LogP4.33
Rot. Bonds5

About N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 43854818) has the molecular formula C15H14N4OS3 and a molecular weight of 362.51 g/mol. Its IUPAC name is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
PubChem CID43854818
Molecular FormulaC15H14N4OS3
Molecular Weight362.51 g/mol
Exact Mass362.03
IUPAC NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
SMILESCCSc1nnc(NC(=O)c2nc(C)sc2-c2ccccc2)s1
InChIInChI=1S/C15H14N4OS3/c1-3-21-15-19-18-14(23-15)17-13(20)11-12(22-9(2)16-11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,17,18,20)
InChIKeyYYXAVEVFPXJDQA-UHFFFAOYSA-N
XLogP4.33
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-N,2-N-bis(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzene-1,2-dicarboxamide
CID 3636543
ethyl 2-[[5-[(4-phenylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 4604072
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-diphenylpyrazole-4-carboxamide
CID 2121252
ethyl 2-[[5-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 55336813
2-(benzylamino)-5-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide
CID 53384944
ethyl 2-[(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate
CID 110651262
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3,4-dimethylbenzamide
CID 2885797
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
CID 735257
2-ethoxy-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 872228
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methoxynaphthalene-2-carboxamide
CID 2634102
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 43854824
5-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide
CID 19119772

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide (CID 43854818) is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide is CCSc1nnc(NC(=O)c2nc(C)sc2-c2ccccc2)s1.
What is the InChIKey of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is YYXAVEVFPXJDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS3/c1-3-21-15-19-18-14(23-15)17-13(20)11-12(22-9(2)16-11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,17,18,20).
What are the key properties of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 362.51 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 43854818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).