2-(2-chloroanilino)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide

C11H12ClN3OS — CID 95257494

IUPAC2-(2-chloroanilino)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
SMILESO=C(CNc1ccccc1Cl)NC1=NCCS1
InChIInChI=1S/C11H12ClN3OS/c12-8-3-1-2-4-9(8)14-7-10(16)15-11-13-5-6-17-11/h1-4,14H,5-7H2,(H,13,15,16)
InChIKeyNPDIYYKFNMZGLQ-UHFFFAOYSA-N
MW269.76 g/mol
LogP1.97
Rot. Bonds3

About 2-(2-chloroanilino)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide

2-(2-chloroanilino)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide (PubChem CID 95257494) has the molecular formula C11H12ClN3OS and a molecular weight of 269.76 g/mol. Its IUPAC name is 2-(2-chloroanilino)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloroanilino)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
PubChem CID95257494
Molecular FormulaC11H12ClN3OS
Molecular Weight269.76 g/mol
Exact Mass269.04
IUPAC Name2-(2-chloroanilino)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
SMILESO=C(CNc1ccccc1Cl)NC1=NCCS1
InChIInChI=1S/C11H12ClN3OS/c12-8-3-1-2-4-9(8)14-7-10(16)15-11-13-5-6-17-11/h1-4,14H,5-7H2,(H,13,15,16)
InChIKeyNPDIYYKFNMZGLQ-UHFFFAOYSA-N
XLogP1.97
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.76
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloroanilino)-N-(3,5-dichlorophenyl)acetamide
CID 54810505
2-(2-chloroanilino)acetohydrazide;hydrochloride
CID 131089719
2-(2-chloroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 9098705
N-[4-[[2-(2-chloroanilino)acetyl]amino]phenyl]propanamide
CID 54810223
N-[3-[[2-(2-chloroanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54810419
N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]furan-2-carboxamide
CID 17413529
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-naphthalen-2-ylsulfanylacetamide
CID 7534956
N-[4-[[2-(2-chloroanilino)acetyl]amino]phenyl]butanamide
CID 54810199
2-(2-chloroanilino)-N-(4-phenoxyphenyl)acetamide
CID 54810461
2-(2-chloroanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 108995281
2-(2-chloroanilino)-N-(2-phenoxyphenyl)acetamide
CID 9098717
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1H-indol-3-yl)acetamide
CID 2117354

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2-chloroanilino)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide (CID 95257494) is 2-(2-chloroanilino)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-chloroanilino)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-chloroanilino)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide is O=C(CNc1ccccc1Cl)NC1=NCCS1.
What is the InChIKey of 2-(2-chloroanilino)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide?
The InChIKey is NPDIYYKFNMZGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3OS/c12-8-3-1-2-4-9(8)14-7-10(16)15-11-13-5-6-17-11/h1-4,14H,5-7H2,(H,13,15,16).
What are the key properties of 2-(2-chloroanilino)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide?
2-(2-chloroanilino)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide has a molecular weight of 269.76 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 95257494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).