N-[2-hydroxy-1-(2-methylphenyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)propanamide

C16H20N2O2S — CID 154832744

IUPACN-[2-hydroxy-1-(2-methylphenyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(C(C)C(=O)NC(CO)c2ccccc2C)n1
InChIInChI=1S/C16H20N2O2S/c1-10-6-4-5-7-13(10)14(8-19)18-15(20)12(3)16-17-11(2)9-21-16/h4-7,9,12,14,19H,8H2,1-3H3,(H,18,20)
InChIKeyPGTVDTKVFJWVHM-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.71
Rot. Bonds5

About N-[2-hydroxy-1-(2-methylphenyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)propanamide

N-[2-hydroxy-1-(2-methylphenyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 154832744) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[2-hydroxy-1-(2-methylphenyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-hydroxy-1-(2-methylphenyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID154832744
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-[2-hydroxy-1-(2-methylphenyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(C(C)C(=O)NC(CO)c2ccccc2C)n1
InChIInChI=1S/C16H20N2O2S/c1-10-6-4-5-7-13(10)14(8-19)18-15(20)12(3)16-17-11(2)9-21-16/h4-7,9,12,14,19H,8H2,1-3H3,(H,18,20)
InChIKeyPGTVDTKVFJWVHM-UHFFFAOYSA-N
XLogP2.71
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 111119603
2-(dimethylamino)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-phenylacetamide
CID 110628639
3-(2-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid
CID 82026644
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 111119318
1-(2-ethylphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 62413912
2-methyl-3-(methylamino)-N-[3-methyl-1-(2-methylphenyl)butyl]propanamide
CID 119782823
(2S)-2-amino-4-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide
CID 119879076
2-(4-methyl-1,3-thiazol-2-yl)-N-[(1-phenyl-1,2,4-triazol-3-yl)methyl]propanamide
CID 138035698
2-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 114898569
3-(2-fluorophenyl)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]propanamide
CID 110628634
2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119875872
2-methyl-3-(methylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119875883

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-1-(2-methylphenyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-[2-hydroxy-1-(2-methylphenyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)propanamide (CID 154832744) is N-[2-hydroxy-1-(2-methylphenyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-[2-hydroxy-1-(2-methylphenyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-[2-hydroxy-1-(2-methylphenyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)propanamide is Cc1csc(C(C)C(=O)NC(CO)c2ccccc2C)n1.
What is the InChIKey of N-[2-hydroxy-1-(2-methylphenyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is PGTVDTKVFJWVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-10-6-4-5-7-13(10)14(8-19)18-15(20)12(3)16-17-11(2)9-21-16/h4-7,9,12,14,19H,8H2,1-3H3,(H,18,20).
What are the key properties of N-[2-hydroxy-1-(2-methylphenyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)propanamide?
N-[2-hydroxy-1-(2-methylphenyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 304.42 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-1-(2-methylphenyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 154832744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).