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

C13H14ClN3OS — CID 2567185

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide
SMILES[H]/N=c1\sccn1CC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C13H14ClN3OS/c14-11-3-1-10(2-4-11)5-6-16-12(18)9-17-7-8-19-13(17)15/h1-4,7-8,15H,5-6,9H2,(H,16,18)/b15-13-
InChIKeyYIBLGCSKRYNCRR-SQFISAMPSA-N
MW295.80 g/mol
LogP2.04
Rot. Bonds5

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

N-[2-(4-chlorophenyl)ethyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide (PubChem CID 2567185) has the molecular formula C13H14ClN3OS and a molecular weight of 295.80 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide
PubChem CID2567185
Molecular FormulaC13H14ClN3OS
Molecular Weight295.80 g/mol
Exact Mass295.05
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide
SMILES[H]/N=c1\sccn1CC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C13H14ClN3OS/c14-11-3-1-10(2-4-11)5-6-16-12(18)9-17-7-8-19-13(17)15/h1-4,7-8,15H,5-6,9H2,(H,16,18)/b15-13-
InChIKeyYIBLGCSKRYNCRR-SQFISAMPSA-N
XLogP2.04
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-pyrrol-1-ylacetamide
CID 20880518
N-[2-(4-chlorophenyl)ethyl]-2-hydroxyacetamide
CID 16769436
ethane;2-(2-imino-1,3-thiazol-3-yl)acetic acid
CID 91481035
N-(2-benzylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride
CID 53314557
N-[2-(4-chlorophenyl)ethyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 78787213
N-[2-(4-chlorophenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 55364689
N-[2-(4-chlorophenyl)ethyl]-3-pyrrol-1-ylpropanamide
CID 3236679
2-(2-imino-1,3-thiazol-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 3568385
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 113201488
N-[2-(4-chlorophenyl)ethyl]-2-piperazin-1-ylacetamide;hydrochloride
CID 17221281
2-(4-chlorophenyl)ethylcarbamic acid
CID 57014413
N-[2-(4-chlorophenyl)ethyl]butanamide
CID 60628099

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide (CID 2567185) is N-[2-(4-chlorophenyl)ethyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide is [H]/N=c1\sccn1CC(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide?
The InChIKey is YIBLGCSKRYNCRR-SQFISAMPSA-N. The full InChI is InChI=1S/C13H14ClN3OS/c14-11-3-1-10(2-4-11)5-6-16-12(18)9-17-7-8-19-13(17)15/h1-4,7-8,15H,5-6,9H2,(H,16,18)/b15-13-.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide has a molecular weight of 295.80 g/mol, XLogP of 2.04, 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)ethyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 2567185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).