N-(4-cyclohexyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfanyl-2-methylpropanamide

C20H26N2O2S2 — CID 89297465

IUPACN-(4-cyclohexyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfanyl-2-methylpropanamide
SMILESCOc1ccc(SC(C)(C)C(=O)Nc2nc(C3CCCCC3)cs2)cc1
InChIInChI=1S/C20H26N2O2S2/c1-20(2,26-16-11-9-15(24-3)10-12-16)18(23)22-19-21-17(13-25-19)14-7-5-4-6-8-14/h9-14H,4-8H2,1-3H3,(H,21,22,23)
InChIKeyACYMBQRXUQYSHA-UHFFFAOYSA-N
MW390.57 g/mol
LogP5.71
Rot. Bonds6

About N-(4-cyclohexyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfanyl-2-methylpropanamide

N-(4-cyclohexyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfanyl-2-methylpropanamide (PubChem CID 89297465) has the molecular formula C20H26N2O2S2 and a molecular weight of 390.57 g/mol. Its IUPAC name is N-(4-cyclohexyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfanyl-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-cyclohexyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfanyl-2-methylpropanamide
PubChem CID89297465
Molecular FormulaC20H26N2O2S2
Molecular Weight390.57 g/mol
Exact Mass390.14
IUPAC NameN-(4-cyclohexyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfanyl-2-methylpropanamide
SMILESCOc1ccc(SC(C)(C)C(=O)Nc2nc(C3CCCCC3)cs2)cc1
InChIInChI=1S/C20H26N2O2S2/c1-20(2,26-16-11-9-15(24-3)10-12-16)18(23)22-19-21-17(13-25-19)14-7-5-4-6-8-14/h9-14H,4-8H2,1-3H3,(H,21,22,23)
InChIKeyACYMBQRXUQYSHA-UHFFFAOYSA-N
XLogP5.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.57
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfanyl-2-methylpropanamide?
The IUPAC name of N-(4-cyclohexyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfanyl-2-methylpropanamide (CID 89297465) is N-(4-cyclohexyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfanyl-2-methylpropanamide.
What is the SMILES notation for N-(4-cyclohexyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfanyl-2-methylpropanamide?
The canonical SMILES for N-(4-cyclohexyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfanyl-2-methylpropanamide is COc1ccc(SC(C)(C)C(=O)Nc2nc(C3CCCCC3)cs2)cc1.
What is the InChIKey of N-(4-cyclohexyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfanyl-2-methylpropanamide?
The InChIKey is ACYMBQRXUQYSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S2/c1-20(2,26-16-11-9-15(24-3)10-12-16)18(23)22-19-21-17(13-25-19)14-7-5-4-6-8-14/h9-14H,4-8H2,1-3H3,(H,21,22,23).
What are the key properties of N-(4-cyclohexyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfanyl-2-methylpropanamide?
N-(4-cyclohexyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfanyl-2-methylpropanamide has a molecular weight of 390.57 g/mol, XLogP of 5.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfanyl-2-methylpropanamide is sourced from PubChem (CID 89297465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).