N-(1-cyanocyclohexyl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide

C14H19N3OS2 — CID 7499946

IUPACN-(1-cyanocyclohexyl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(SCC(=O)N(C)C2(C#N)CCCCC2)n1
InChIInChI=1S/C14H19N3OS2/c1-11-8-19-13(16-11)20-9-12(18)17(2)14(10-15)6-4-3-5-7-14/h8H,3-7,9H2,1-2H3
InChIKeyVHRYKDRATCRYRV-UHFFFAOYSA-N
MW309.46 g/mol
LogP3.23
Rot. Bonds4

About N-(1-cyanocyclohexyl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide

N-(1-cyanocyclohexyl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 7499946) has the molecular formula C14H19N3OS2 and a molecular weight of 309.46 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
PubChem CID7499946
Molecular FormulaC14H19N3OS2
Molecular Weight309.46 g/mol
Exact Mass309.10
IUPAC NameN-(1-cyanocyclohexyl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(SCC(=O)N(C)C2(C#N)CCCCC2)n1
InChIInChI=1S/C14H19N3OS2/c1-11-8-19-13(16-11)20-9-12(18)17(2)14(10-15)6-4-3-5-7-14/h8H,3-7,9H2,1-2H3
InChIKeyVHRYKDRATCRYRV-UHFFFAOYSA-N
XLogP3.23
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 7499946) is N-(1-cyanocyclohexyl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is Cc1csc(SCC(=O)N(C)C2(C#N)CCCCC2)n1.
What is the InChIKey of N-(1-cyanocyclohexyl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The InChIKey is VHRYKDRATCRYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS2/c1-11-8-19-13(16-11)20-9-12(18)17(2)14(10-15)6-4-3-5-7-14/h8H,3-7,9H2,1-2H3.
What are the key properties of N-(1-cyanocyclohexyl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
N-(1-cyanocyclohexyl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 309.46 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 7499946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).