N-(cyclohexylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide

C14H22N2OS2 — CID 4876727

IUPACN-(cyclohexylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
SMILESCc1csc(SC(C)C(=O)NCC2CCCCC2)n1
InChIInChI=1S/C14H22N2OS2/c1-10-9-18-14(16-10)19-11(2)13(17)15-8-12-6-4-3-5-7-12/h9,11-12H,3-8H2,1-2H3,(H,15,17)
InChIKeyBSDGKYXGTMXDCW-UHFFFAOYSA-N
MW298.48 g/mol
LogP3.63
Rot. Bonds5

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

N-(cyclohexylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide (PubChem CID 4876727) has the molecular formula C14H22N2OS2 and a molecular weight of 298.48 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
PubChem CID4876727
Molecular FormulaC14H22N2OS2
Molecular Weight298.48 g/mol
Exact Mass298.12
IUPAC NameN-(cyclohexylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
SMILESCc1csc(SC(C)C(=O)NCC2CCCCC2)n1
InChIInChI=1S/C14H22N2OS2/c1-10-9-18-14(16-10)19-11(2)13(17)15-8-12-6-4-3-5-7-12/h9,11-12H,3-8H2,1-2H3,(H,15,17)
InChIKeyBSDGKYXGTMXDCW-UHFFFAOYSA-N
XLogP3.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.48
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]cyclohexanecarboxamide
CID 2404456
N-(4-methylcyclohexyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 7499814
N-cyclopentyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 8304183
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 24979385
N-(2-methylcyclohexyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 24981071
N-cyclohexyl-2-[(4-methyl-1,3-thiazol-2-yl)thio]acetamide
CID 2533027
2-[(2-cyclohexyl-1,3-thiazol-4-yl)methylsulfinyl]-N-(2-methylpropyl)acetamide
CID 53602556
2-[(2-cyclohexyl-1,3-thiazol-4-yl)methylsulfinyl]-N-propylacetamide
CID 53605147
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide
CID 16276934
2-cyclohexyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 22583816
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-3-sulfanylpropanamide
CID 177681485
2-ethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 39071903

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide (CID 4876727) is N-(cyclohexylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide is Cc1csc(SC(C)C(=O)NCC2CCCCC2)n1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The InChIKey is BSDGKYXGTMXDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS2/c1-10-9-18-14(16-10)19-11(2)13(17)15-8-12-6-4-3-5-7-12/h9,11-12H,3-8H2,1-2H3,(H,15,17).
What are the key properties of N-(cyclohexylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
N-(cyclohexylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide has a molecular weight of 298.48 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 4876727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).