N-(cyclopropylmethyl)-4-methylthiadiazole-5-carboxamide

C8H11N3OS — CID 95756284

IUPACN-(cyclopropylmethyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCC1CC1
InChIInChI=1S/C8H11N3OS/c1-5-7(13-11-10-5)8(12)9-4-6-2-3-6/h6H,2-4H2,1H3,(H,9,12)
InChIKeyBISCMYCWPCVIQT-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.99
Rot. Bonds3

About N-(cyclopropylmethyl)-4-methylthiadiazole-5-carboxamide

N-(cyclopropylmethyl)-4-methylthiadiazole-5-carboxamide (PubChem CID 95756284) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-methylthiadiazole-5-carboxamide
PubChem CID95756284
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC NameN-(cyclopropylmethyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCC1CC1
InChIInChI=1S/C8H11N3OS/c1-5-7(13-11-10-5)8(12)9-4-6-2-3-6/h6H,2-4H2,1H3,(H,9,12)
InChIKeyBISCMYCWPCVIQT-UHFFFAOYSA-N
XLogP0.99
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-4-methylthiadiazole-5-carboxamide (CID 95756284) is N-(cyclopropylmethyl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is BISCMYCWPCVIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c1-5-7(13-11-10-5)8(12)9-4-6-2-3-6/h6H,2-4H2,1H3,(H,9,12).
What are the key properties of N-(cyclopropylmethyl)-4-methylthiadiazole-5-carboxamide?
N-(cyclopropylmethyl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 197.26 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 95756284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).