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

C12H16N4OS2 — CID 47277003

IUPAC4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
SMILESCCC(CC)c1nnc(NC(=O)c2scnc2C)s1
InChIInChI=1S/C12H16N4OS2/c1-4-8(5-2)11-15-16-12(19-11)14-10(17)9-7(3)13-6-18-9/h6,8H,4-5H2,1-3H3,(H,14,16,17)
InChIKeyITXLNHJZTPHKOS-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.46
Rot. Bonds5

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

4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 47277003) has the molecular formula C12H16N4OS2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID47277003
Molecular FormulaC12H16N4OS2
Molecular Weight296.42 g/mol
Exact Mass296.08
IUPAC Name4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
SMILESCCC(CC)c1nnc(NC(=O)c2scnc2C)s1
InChIInChI=1S/C12H16N4OS2/c1-4-8(5-2)11-15-16-12(19-11)14-10(17)9-7(3)13-6-18-9/h6,8H,4-5H2,1-3H3,(H,14,16,17)
InChIKeyITXLNHJZTPHKOS-UHFFFAOYSA-N
XLogP3.46
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 1086879
4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 2675853
4-methoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1086863
4-bromo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 2675832
4-fluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1086860
4-ethoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1086877
3-chloro-4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-2-carboxamide
CID 24657096
3,4-dichloro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 735079
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 35865479
3,4-difluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 18194623
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(propanoylamino)benzamide
CID 17257379
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-N'-propan-2-yloxamide
CID 47332757

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide (CID 47277003) is 4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide is CCC(CC)c1nnc(NC(=O)c2scnc2C)s1.
What is the InChIKey of 4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is ITXLNHJZTPHKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS2/c1-4-8(5-2)11-15-16-12(19-11)14-10(17)9-7(3)13-6-18-9/h6,8H,4-5H2,1-3H3,(H,14,16,17).
What are the key properties of 4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide?
4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 296.42 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47277003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).