N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C14H15ClN2O2S — CID 110885409

IUPACN-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NCC(O)c2ccc(Cl)cc2)cs1
InChIInChI=1S/C14H15ClN2O2S/c1-9-17-12(8-20-9)6-14(19)16-7-13(18)10-2-4-11(15)5-3-10/h2-5,8,13,18H,6-7H2,1H3,(H,16,19)
InChIKeyMSPXRTMOBZJMAC-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.50
Rot. Bonds5

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

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 110885409) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID110885409
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NCC(O)c2ccc(Cl)cc2)cs1
InChIInChI=1S/C14H15ClN2O2S/c1-9-17-12(8-20-9)6-14(19)16-7-13(18)10-2-4-11(15)5-3-10/h2-5,8,13,18H,6-7H2,1H3,(H,16,19)
InChIKeyMSPXRTMOBZJMAC-UHFFFAOYSA-N
XLogP2.50
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 62799150
N-(2,2-dimethoxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110463239
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-methylpropyl)acetamide
CID 32978171
N-(2-chloroprop-2-enyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 115636734
3-methyl-2-[[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]methyl]butanoic acid
CID 65220312
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetamide
CID 57033754
1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 94181927
N-[1-(3-chlorophenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 47097501
1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 94172228
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylpropanamide
CID 82117612
N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 46192825
1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 95269403

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 110885409) is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)NCC(O)c2ccc(Cl)cc2)cs1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is MSPXRTMOBZJMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-9-17-12(8-20-9)6-14(19)16-7-13(18)10-2-4-11(15)5-3-10/h2-5,8,13,18H,6-7H2,1H3,(H,16,19).
What are the key properties of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 310.81 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 110885409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).