4-methyl-N-(4-methylpentan-2-yl)thiadiazole-5-carboxamide

C10H17N3OS — CID 154312886

IUPAC4-methyl-N-(4-methylpentan-2-yl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC(C)CC(C)C
InChIInChI=1S/C10H17N3OS/c1-6(2)5-7(3)11-10(14)9-8(4)12-13-15-9/h6-7H,5H2,1-4H3,(H,11,14)
InChIKeyPJBDVDSXZRZXKC-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.01
Rot. Bonds4

About 4-methyl-N-(4-methylpentan-2-yl)thiadiazole-5-carboxamide

4-methyl-N-(4-methylpentan-2-yl)thiadiazole-5-carboxamide (PubChem CID 154312886) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 4-methyl-N-(4-methylpentan-2-yl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(4-methylpentan-2-yl)thiadiazole-5-carboxamide
PubChem CID154312886
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name4-methyl-N-(4-methylpentan-2-yl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC(C)CC(C)C
InChIInChI=1S/C10H17N3OS/c1-6(2)5-7(3)11-10(14)9-8(4)12-13-15-9/h6-7H,5H2,1-4H3,(H,11,14)
InChIKeyPJBDVDSXZRZXKC-UHFFFAOYSA-N
XLogP2.01
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methylpentan-2-yl)thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(4-methylpentan-2-yl)thiadiazole-5-carboxamide (CID 154312886) is 4-methyl-N-(4-methylpentan-2-yl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(4-methylpentan-2-yl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(4-methylpentan-2-yl)thiadiazole-5-carboxamide is Cc1nnsc1C(=O)NC(C)CC(C)C.
What is the InChIKey of 4-methyl-N-(4-methylpentan-2-yl)thiadiazole-5-carboxamide?
The InChIKey is PJBDVDSXZRZXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-6(2)5-7(3)11-10(14)9-8(4)12-13-15-9/h6-7H,5H2,1-4H3,(H,11,14).
What are the key properties of 4-methyl-N-(4-methylpentan-2-yl)thiadiazole-5-carboxamide?
4-methyl-N-(4-methylpentan-2-yl)thiadiazole-5-carboxamide has a molecular weight of 227.33 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methylpentan-2-yl)thiadiazole-5-carboxamide is sourced from PubChem (CID 154312886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).