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

C13H18N4OS2 — CID 47005033

IUPAC2,4-dimethyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
SMILESCCC(CC)c1nnc(NC(=O)c2sc(C)nc2C)s1
InChIInChI=1S/C13H18N4OS2/c1-5-9(6-2)12-16-17-13(20-12)15-11(18)10-7(3)14-8(4)19-10/h9H,5-6H2,1-4H3,(H,15,17,18)
InChIKeyGMZVZUAZQKBCGL-UHFFFAOYSA-N
MW310.45 g/mol
LogP3.77
Rot. Bonds5

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

2,4-dimethyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 47005033) has the molecular formula C13H18N4OS2 and a molecular weight of 310.45 g/mol. Its IUPAC name is 2,4-dimethyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID47005033
Molecular FormulaC13H18N4OS2
Molecular Weight310.45 g/mol
Exact Mass310.09
IUPAC Name2,4-dimethyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
SMILESCCC(CC)c1nnc(NC(=O)c2sc(C)nc2C)s1
InChIInChI=1S/C13H18N4OS2/c1-5-9(6-2)12-16-17-13(20-12)15-11(18)10-7(3)14-8(4)19-10/h9H,5-6H2,1-4H3,(H,15,17,18)
InChIKeyGMZVZUAZQKBCGL-UHFFFAOYSA-N
XLogP3.77
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide (CID 47005033) is 2,4-dimethyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide is CCC(CC)c1nnc(NC(=O)c2sc(C)nc2C)s1.
What is the InChIKey of 2,4-dimethyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is GMZVZUAZQKBCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS2/c1-5-9(6-2)12-16-17-13(20-12)15-11(18)10-7(3)14-8(4)19-10/h9H,5-6H2,1-4H3,(H,15,17,18).
What are the key properties of 2,4-dimethyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 310.45 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47005033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).