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

C15H22N4OS2 — CID 46450898

IUPAC4-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCCCCCc1nnc(NC(=O)c2sc(C(C)C)nc2C)s1
InChIInChI=1S/C15H22N4OS2/c1-5-6-7-8-11-18-19-15(21-11)17-13(20)12-10(4)16-14(22-12)9(2)3/h9H,5-8H2,1-4H3,(H,17,19,20)
InChIKeyJMFSFNFRNWGMEU-UHFFFAOYSA-N
MW338.50 g/mol
LogP4.41
Rot. Bonds7

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

4-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 46450898) has the molecular formula C15H22N4OS2 and a molecular weight of 338.50 g/mol. Its IUPAC name is 4-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID46450898
Molecular FormulaC15H22N4OS2
Molecular Weight338.50 g/mol
Exact Mass338.12
IUPAC Name4-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCCCCCc1nnc(NC(=O)c2sc(C(C)C)nc2C)s1
InChIInChI=1S/C15H22N4OS2/c1-5-6-7-8-11-18-19-15(21-11)17-13(20)12-10(4)16-14(22-12)9(2)3/h9H,5-8H2,1-4H3,(H,17,19,20)
InChIKeyJMFSFNFRNWGMEU-UHFFFAOYSA-N
XLogP4.41
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide (CID 46450898) is 4-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide is CCCCCc1nnc(NC(=O)c2sc(C(C)C)nc2C)s1.
What is the InChIKey of 4-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is JMFSFNFRNWGMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS2/c1-5-6-7-8-11-18-19-15(21-11)17-13(20)12-10(4)16-14(22-12)9(2)3/h9H,5-8H2,1-4H3,(H,17,19,20).
What are the key properties of 4-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 338.50 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46450898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).