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

C14H16ClN3OS — CID 119406639

IUPACN-(3-aminopropyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
SMILESNCCCNC(=O)Cc1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C14H16ClN3OS/c15-12-5-2-1-4-11(12)14-18-10(9-20-14)8-13(19)17-7-3-6-16/h1-2,4-5,9H,3,6-8,16H2,(H,17,19)
InChIKeyOBPFTCQFRHTSJX-UHFFFAOYSA-N
MW309.82 g/mol
LogP2.47
Rot. Bonds6

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

N-(3-aminopropyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 119406639) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID119406639
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC NameN-(3-aminopropyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
SMILESNCCCNC(=O)Cc1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C14H16ClN3OS/c15-12-5-2-1-4-11(12)14-18-10(9-20-14)8-13(19)17-7-3-6-16/h1-2,4-5,9H,3,6-8,16H2,(H,17,19)
InChIKeyOBPFTCQFRHTSJX-UHFFFAOYSA-N
XLogP2.47
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-methylpropyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119627873
N-(3-amino-2-methylpropyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 119996517
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-phenoxyethyl)acetamide
CID 30859184
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methoxyacetamide
CID 51279381
2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-(3-methoxypropyl)acetamide
CID 110450334
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
CID 39084510
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-phenylpropyl)acetamide
CID 43017112
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(2S)-2-phenylpropyl]acetamide
CID 9457086
N-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-(4-fluorophenyl)acetamide
CID 110284938
N-(4-aminocyclohexyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 119476448
2-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 9399292
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 25343258

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(3-aminopropyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide (CID 119406639) is N-(3-aminopropyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(3-aminopropyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide is NCCCNC(=O)Cc1csc(-c2ccccc2Cl)n1.
What is the InChIKey of N-(3-aminopropyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is OBPFTCQFRHTSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS/c15-12-5-2-1-4-11(12)14-18-10(9-20-14)8-13(19)17-7-3-6-16/h1-2,4-5,9H,3,6-8,16H2,(H,17,19).
What are the key properties of N-(3-aminopropyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide?
N-(3-aminopropyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 309.82 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 119406639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).