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

C11H17N3OS — CID 7576706

IUPACN-(cyclohexylmethyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCC1CCCCC1
InChIInChI=1S/C11H17N3OS/c1-8-10(16-14-13-8)11(15)12-7-9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H,12,15)
InChIKeyCPPCRKJNHYHEQT-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.16
Rot. Bonds3

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

N-(cyclohexylmethyl)-4-methylthiadiazole-5-carboxamide (PubChem CID 7576706) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-methylthiadiazole-5-carboxamide
PubChem CID7576706
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC NameN-(cyclohexylmethyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCC1CCCCC1
InChIInChI=1S/C11H17N3OS/c1-8-10(16-14-13-8)11(15)12-7-9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H,12,15)
InChIKeyCPPCRKJNHYHEQT-UHFFFAOYSA-N
XLogP2.16
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-4-methylthiadiazole-5-carboxamide (CID 7576706) is N-(cyclohexylmethyl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is CPPCRKJNHYHEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8-10(16-14-13-8)11(15)12-7-9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H,12,15).
What are the key properties of N-(cyclohexylmethyl)-4-methylthiadiazole-5-carboxamide?
N-(cyclohexylmethyl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 7576706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).