2-(1,4-dihydroxycyclohexyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]acetamide

C19H24N2O3S — CID 146108753

IUPAC2-(1,4-dihydroxycyclohexyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]acetamide
SMILESCc1ncsc1-c1ccc(CNC(=O)CC2(O)CCC(O)CC2)cc1
InChIInChI=1S/C19H24N2O3S/c1-13-18(25-12-21-13)15-4-2-14(3-5-15)11-20-17(23)10-19(24)8-6-16(22)7-9-19/h2-5,12,16,22,24H,6-11H2,1H3,(H,20,23)
InChIKeyVWACXZLQTVDSGW-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.79
Rot. Bonds5

About 2-(1,4-dihydroxycyclohexyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]acetamide

2-(1,4-dihydroxycyclohexyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]acetamide (PubChem CID 146108753) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-(1,4-dihydroxycyclohexyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(1,4-dihydroxycyclohexyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]acetamide
PubChem CID146108753
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name2-(1,4-dihydroxycyclohexyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]acetamide
SMILESCc1ncsc1-c1ccc(CNC(=O)CC2(O)CCC(O)CC2)cc1
InChIInChI=1S/C19H24N2O3S/c1-13-18(25-12-21-13)15-4-2-14(3-5-15)11-20-17(23)10-19(24)8-6-16(22)7-9-19/h2-5,12,16,22,24H,6-11H2,1H3,(H,20,23)
InChIKeyVWACXZLQTVDSGW-UHFFFAOYSA-N
XLogP2.79
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4R)-1-tert-butyl-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 141398988
(2R)-3-fluoro-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 142305215
1-formyl-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 142596813
4-hydroxy-1-(1-methylcyclohexanecarbonyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 123787289
4-hydroxy-1-(2-methylbutanoyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 170171241
2-[(2S,4R)-4-hydroxy-1-(1-hydroxy-3,3-dimethylbutyl)pyrrolidin-2-yl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]acetamide
CID 155189841
(2R,4R)-1-[(2S)-2-amino-2-cyclopropyl-1-hydroxyethyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 170033680
N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]ethanamine
CID 153380249
tert-butyl (2S,4S)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 122539904
(2S,4R)-1-[(2R)-2-(1-fluorocyclopropyl)-2-(propan-2-ylamino)acetyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 166564835
(2S,4R)-1-[(2S)-2-[(1-ethynylcyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 171159794
(4S)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 166068517

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dihydroxycyclohexyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]acetamide?
The IUPAC name of 2-(1,4-dihydroxycyclohexyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]acetamide (CID 146108753) is 2-(1,4-dihydroxycyclohexyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(1,4-dihydroxycyclohexyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(1,4-dihydroxycyclohexyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]acetamide is Cc1ncsc1-c1ccc(CNC(=O)CC2(O)CCC(O)CC2)cc1.
What is the InChIKey of 2-(1,4-dihydroxycyclohexyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]acetamide?
The InChIKey is VWACXZLQTVDSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-13-18(25-12-21-13)15-4-2-14(3-5-15)11-20-17(23)10-19(24)8-6-16(22)7-9-19/h2-5,12,16,22,24H,6-11H2,1H3,(H,20,23).
What are the key properties of 2-(1,4-dihydroxycyclohexyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]acetamide?
2-(1,4-dihydroxycyclohexyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]acetamide has a molecular weight of 360.48 g/mol, XLogP of 2.79, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dihydroxycyclohexyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 146108753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).