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

C14H15ClN2OS — CID 31305146

IUPACN-[(1S)-1-(2-chlorophenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)N[C@@H](C)c2ccccc2Cl)cs1
InChIInChI=1S/C14H15ClN2OS/c1-9(12-5-3-4-6-13(12)15)16-14(18)7-11-8-19-10(2)17-11/h3-6,8-9H,7H2,1-2H3,(H,16,18)/t9-/m0/s1
InChIKeySRBINZUVQGMKHH-VIFPVBQESA-N
MW294.81 g/mol
LogP3.52
Rot. Bonds4

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

N-[(1S)-1-(2-chlorophenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 31305146) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is N-[(1S)-1-(2-chlorophenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-chlorophenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID31305146
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC NameN-[(1S)-1-(2-chlorophenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)N[C@@H](C)c2ccccc2Cl)cs1
InChIInChI=1S/C14H15ClN2OS/c1-9(12-5-3-4-6-13(12)15)16-14(18)7-11-8-19-10(2)17-11/h3-6,8-9H,7H2,1-2H3,(H,16,18)/t9-/m0/s1
InChIKeySRBINZUVQGMKHH-VIFPVBQESA-N
XLogP3.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 43031352
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[1-(2-methylphenyl)ethyl]acetamide
CID 43031335
(1R)-1-(2-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 28781310
N-[1-(3-chlorophenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 47097501
N-(2-methyl-1-phenylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 78813908
1-(2-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 62800198
2-(2-amino-1,3-thiazol-4-yl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 62798043
ethyl 2-[2-[1-(2-chlorophenyl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 80574170
(2S)-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 51052302
2-(2-methyl-1,3-thiazol-4-yl)-N-[(2R,3R)-3-phenoxybutan-2-yl]acetamide
CID 97215730
2-(2-methyl-1,3-thiazol-4-yl)-N-[(2S,3S)-3-phenoxybutan-2-yl]acetamide
CID 97215731
N-[(2-methylphenyl)-thiophen-2-ylmethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 70766840

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-chlorophenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(1S)-1-(2-chlorophenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 31305146) is N-[(1S)-1-(2-chlorophenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(2-chlorophenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(2-chlorophenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)N[C@@H](C)c2ccccc2Cl)cs1.
What is the InChIKey of N-[(1S)-1-(2-chlorophenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is SRBINZUVQGMKHH-VIFPVBQESA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-9(12-5-3-4-6-13(12)15)16-14(18)7-11-8-19-10(2)17-11/h3-6,8-9H,7H2,1-2H3,(H,16,18)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(2-chlorophenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 294.81 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-chlorophenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 31305146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).