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

C16H13ClN2OS2 — CID 20995900

IUPACN-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
SMILESO=C(Cc1scnc1-c1cccs1)NCc1ccccc1Cl
InChIInChI=1S/C16H13ClN2OS2/c17-12-5-2-1-4-11(12)9-18-15(20)8-14-16(19-10-22-14)13-6-3-7-21-13/h1-7,10H,8-9H2,(H,18,20)
InChIKeyWCHSEBIKVMQVPM-UHFFFAOYSA-N
MW348.88 g/mol
LogP4.38
Rot. Bonds5

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

N-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide (PubChem CID 20995900) has the molecular formula C16H13ClN2OS2 and a molecular weight of 348.88 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
PubChem CID20995900
Molecular FormulaC16H13ClN2OS2
Molecular Weight348.88 g/mol
Exact Mass348.02
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
SMILESO=C(Cc1scnc1-c1cccs1)NCc1ccccc1Cl
InChIInChI=1S/C16H13ClN2OS2/c17-12-5-2-1-4-11(12)9-18-15(20)8-14-16(19-10-22-14)13-6-3-7-21-13/h1-7,10H,8-9H2,(H,18,20)
InChIKeyWCHSEBIKVMQVPM-UHFFFAOYSA-N
XLogP4.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide
CID 91630326
N-[(2-chlorophenyl)methyl]-3-(5-thiophen-2-yltetrazol-2-yl)propanamide
CID 655576
(E)-3-(2-chlorophenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]prop-2-enamide
CID 91625800
3,4-dichloro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166236
N-[(2-chlorophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 2679601
5-amino-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 113381834
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 16676552
2-(1-benzothiophen-3-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 46261254
N-[(2-chlorophenyl)methyl]-2-[2-(sulfanylmethyl)-1,3-thiazol-4-yl]acetamide
CID 91525687
N-[(2-chlorophenyl)methyl]-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
CID 43935566
N-[(2-chlorophenyl)methyl]-3-methylthiophene-2-carboxamide
CID 2481080
N-[(2-chlorophenyl)methyl]-2-(thiophene-2-carbonyl)benzamide
CID 9401366

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide (CID 20995900) is N-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide is O=C(Cc1scnc1-c1cccs1)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide?
The InChIKey is WCHSEBIKVMQVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2OS2/c17-12-5-2-1-4-11(12)9-18-15(20)8-14-16(19-10-22-14)13-6-3-7-21-13/h1-7,10H,8-9H2,(H,18,20).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide?
N-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide has a molecular weight of 348.88 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 20995900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).