N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-4-propylthiadiazole-5-carboxamide

C12H17N5OS2 — CID 91794562

IUPACN-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCc1cnc(SC)n1C
InChIInChI=1S/C12H17N5OS2/c1-4-5-9-10(20-16-15-9)11(18)13-6-8-7-14-12(19-3)17(8)2/h7H,4-6H2,1-3H3,(H,13,18)
InChIKeySNORBVSQTPQRAR-UHFFFAOYSA-N
MW311.44 g/mol
LogP1.88
Rot. Bonds6

About N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-4-propylthiadiazole-5-carboxamide

N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-4-propylthiadiazole-5-carboxamide (PubChem CID 91794562) has the molecular formula C12H17N5OS2 and a molecular weight of 311.44 g/mol. Its IUPAC name is N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-4-propylthiadiazole-5-carboxamide
PubChem CID91794562
Molecular FormulaC12H17N5OS2
Molecular Weight311.44 g/mol
Exact Mass311.09
IUPAC NameN-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCc1cnc(SC)n1C
InChIInChI=1S/C12H17N5OS2/c1-4-5-9-10(20-16-15-9)11(18)13-6-8-7-14-12(19-3)17(8)2/h7H,4-6H2,1-3H3,(H,13,18)
InChIKeySNORBVSQTPQRAR-UHFFFAOYSA-N
XLogP1.88
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.44
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-4-propylthiadiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(chloromethyl)phenyl]methyl]-4-propylthiadiazole-5-carboxamide
CID 107233259
5-acetyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]thiophene-2-carboxamide
CID 131940296
4-propyl-N-(1H-pyrazol-4-ylmethyl)thiadiazole-5-carboxamide
CID 65210270
4-ethyl-N-[(1-methylpyrazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 47369409
(1S)-1-(4-fluorophenyl)-2,2-dimethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 97146952
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-4-propylthiadiazole-5-carboxamide
CID 122263908
4-propyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 121022269
4-ethyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide
CID 18198095
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-propylthiadiazole-5-carboxamide
CID 122322472
2,3-dimethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]quinoxaline-6-carboxamide
CID 72936192
1-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]urea
CID 118772160
2-[[(4-propylthiadiazole-5-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381029

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-4-propylthiadiazole-5-carboxamide (CID 91794562) is N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NCc1cnc(SC)n1C.
What is the InChIKey of N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-4-propylthiadiazole-5-carboxamide?
The InChIKey is SNORBVSQTPQRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS2/c1-4-5-9-10(20-16-15-9)11(18)13-6-8-7-14-12(19-3)17(8)2/h7H,4-6H2,1-3H3,(H,13,18).
What are the key properties of N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-4-propylthiadiazole-5-carboxamide?
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-4-propylthiadiazole-5-carboxamide has a molecular weight of 311.44 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 91794562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).