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

C12H18N2OS2 — CID 2533027

IUPACN-cyclohexyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(SCC(=O)NC2CCCCC2)n1
InChIInChI=1S/C12H18N2OS2/c1-9-7-16-12(13-9)17-8-11(15)14-10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3,(H,14,15)
InChIKeyCELWZDXDEBQSCG-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.99
Rot. Bonds4

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

N-cyclohexyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 2533027) has the molecular formula C12H18N2OS2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-cyclohexyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
PubChem CID2533027
Molecular FormulaC12H18N2OS2
Molecular Weight270.42 g/mol
Exact Mass270.09
IUPAC NameN-cyclohexyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(SCC(=O)NC2CCCCC2)n1
InChIInChI=1S/C12H18N2OS2/c1-9-7-16-12(13-9)17-8-11(15)14-10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3,(H,14,15)
InChIKeyCELWZDXDEBQSCG-UHFFFAOYSA-N
XLogP2.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclohexyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 2533027) is N-cyclohexyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is Cc1csc(SCC(=O)NC2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The InChIKey is CELWZDXDEBQSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS2/c1-9-7-16-12(13-9)17-8-11(15)14-10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3,(H,14,15).
What are the key properties of N-cyclohexyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
N-cyclohexyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 270.42 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2533027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).