N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]cyclohexanecarboxamide

C12H19N3OS — CID 53017112

IUPACN-methyl-N-[(4-methylthiadiazol-5-yl)methyl]cyclohexanecarboxamide
SMILESCc1nnsc1CN(C)C(=O)C1CCCCC1
InChIInChI=1S/C12H19N3OS/c1-9-11(17-14-13-9)8-15(2)12(16)10-6-4-3-5-7-10/h10H,3-8H2,1-2H3
InChIKeyICVLYIGQYHVRGH-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.39
Rot. Bonds3

About N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]cyclohexanecarboxamide

N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]cyclohexanecarboxamide (PubChem CID 53017112) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methylthiadiazol-5-yl)methyl]cyclohexanecarboxamide
PubChem CID53017112
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-methyl-N-[(4-methylthiadiazol-5-yl)methyl]cyclohexanecarboxamide
SMILESCc1nnsc1CN(C)C(=O)C1CCCCC1
InChIInChI=1S/C12H19N3OS/c1-9-11(17-14-13-9)8-15(2)12(16)10-6-4-3-5-7-10/h10H,3-8H2,1-2H3
InChIKeyICVLYIGQYHVRGH-UHFFFAOYSA-N
XLogP2.39
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]cyclohexanecarboxamide?
The IUPAC name of N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]cyclohexanecarboxamide (CID 53017112) is N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]cyclohexanecarboxamide is Cc1nnsc1CN(C)C(=O)C1CCCCC1.
What is the InChIKey of N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]cyclohexanecarboxamide?
The InChIKey is ICVLYIGQYHVRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-9-11(17-14-13-9)8-15(2)12(16)10-6-4-3-5-7-10/h10H,3-8H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]cyclohexanecarboxamide?
N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]cyclohexanecarboxamide has a molecular weight of 253.37 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 53017112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).