N-(2-amino-1-cyclopropylethyl)-4-methylthiadiazole-5-carboxamide

C9H14N4OS — CID 65188856

IUPACN-(2-amino-1-cyclopropylethyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC(CN)C1CC1
InChIInChI=1S/C9H14N4OS/c1-5-8(15-13-12-5)9(14)11-7(4-10)6-2-3-6/h6-7H,2-4,10H2,1H3,(H,11,14)
InChIKeyOWFCRURWDYVUDH-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.31
Rot. Bonds4

About N-(2-amino-1-cyclopropylethyl)-4-methylthiadiazole-5-carboxamide

N-(2-amino-1-cyclopropylethyl)-4-methylthiadiazole-5-carboxamide (PubChem CID 65188856) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-4-methylthiadiazole-5-carboxamide
PubChem CID65188856
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC NameN-(2-amino-1-cyclopropylethyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC(CN)C1CC1
InChIInChI=1S/C9H14N4OS/c1-5-8(15-13-12-5)9(14)11-7(4-10)6-2-3-6/h6-7H,2-4,10H2,1H3,(H,11,14)
InChIKeyOWFCRURWDYVUDH-UHFFFAOYSA-N
XLogP0.31
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-methylthiadiazole-5-carboxamide (CID 65188856) is N-(2-amino-1-cyclopropylethyl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NC(CN)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is OWFCRURWDYVUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-5-8(15-13-12-5)9(14)11-7(4-10)6-2-3-6/h6-7H,2-4,10H2,1H3,(H,11,14).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-4-methylthiadiazole-5-carboxamide?
N-(2-amino-1-cyclopropylethyl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 226.30 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 65188856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).