N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide

C12H16N4OS2 — CID 7540995

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCCCCc1nnc(NC(=O)c2sc(C)nc2C)s1
InChIInChI=1S/C12H16N4OS2/c1-4-5-6-9-15-16-12(19-9)14-11(17)10-7(2)13-8(3)18-10/h4-6H2,1-3H3,(H,14,16,17)
InChIKeyBTKAUJOHASRONW-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.21
Rot. Bonds5

About N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 7540995) has the molecular formula C12H16N4OS2 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID7540995
Molecular FormulaC12H16N4OS2
Molecular Weight296.42 g/mol
Exact Mass296.08
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCCCCc1nnc(NC(=O)c2sc(C)nc2C)s1
InChIInChI=1S/C12H16N4OS2/c1-4-5-6-9-15-16-12(19-9)14-11(17)10-7(2)13-8(3)18-10/h4-6H2,1-3H3,(H,14,16,17)
InChIKeyBTKAUJOHASRONW-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 7540995) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is CCCCc1nnc(NC(=O)c2sc(C)nc2C)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is BTKAUJOHASRONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS2/c1-4-5-6-9-15-16-12(19-9)14-11(17)10-7(2)13-8(3)18-10/h4-6H2,1-3H3,(H,14,16,17).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 296.42 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 7540995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).