3-(4-methyl-1,3-thiazol-2-yl)-N-(3-phenylpropyl)propanamide

C16H20N2OS — CID 110388471

IUPAC3-(4-methyl-1,3-thiazol-2-yl)-N-(3-phenylpropyl)propanamide
SMILESCc1csc(CCC(=O)NCCCc2ccccc2)n1
InChIInChI=1S/C16H20N2OS/c1-13-12-20-16(18-13)10-9-15(19)17-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,12H,5,8-11H2,1H3,(H,17,19)
InChIKeyHITFBBYESUZDFL-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.13
Rot. Bonds7

About 3-(4-methyl-1,3-thiazol-2-yl)-N-(3-phenylpropyl)propanamide

3-(4-methyl-1,3-thiazol-2-yl)-N-(3-phenylpropyl)propanamide (PubChem CID 110388471) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 3-(4-methyl-1,3-thiazol-2-yl)-N-(3-phenylpropyl)propanamide.

Molecular Properties

Compound Name3-(4-methyl-1,3-thiazol-2-yl)-N-(3-phenylpropyl)propanamide
PubChem CID110388471
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name3-(4-methyl-1,3-thiazol-2-yl)-N-(3-phenylpropyl)propanamide
SMILESCc1csc(CCC(=O)NCCCc2ccccc2)n1
InChIInChI=1S/C16H20N2OS/c1-13-12-20-16(18-13)10-9-15(19)17-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,12H,5,8-11H2,1H3,(H,17,19)
InChIKeyHITFBBYESUZDFL-UHFFFAOYSA-N
XLogP3.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-ethylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 110739218
N-[2-(2-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 110388443
2-benzyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 70713753
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pent-3-enamide
CID 171145739
3-(4-methyl-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 110388436
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 39071897
2-(2-methoxyphenoxy)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 110443309
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenoxyacetamide
CID 39071979
2-methyl-1-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-3-(2-phenylethyl)guanidine
CID 111135277
2-chloro-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
CID 110441971
(2S)-2-methoxy-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-phenylacetamide
CID 125176822
N-(3-phenylpropyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330030

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,3-thiazol-2-yl)-N-(3-phenylpropyl)propanamide?
The IUPAC name of 3-(4-methyl-1,3-thiazol-2-yl)-N-(3-phenylpropyl)propanamide (CID 110388471) is 3-(4-methyl-1,3-thiazol-2-yl)-N-(3-phenylpropyl)propanamide.
What is the SMILES notation for 3-(4-methyl-1,3-thiazol-2-yl)-N-(3-phenylpropyl)propanamide?
The canonical SMILES for 3-(4-methyl-1,3-thiazol-2-yl)-N-(3-phenylpropyl)propanamide is Cc1csc(CCC(=O)NCCCc2ccccc2)n1.
What is the InChIKey of 3-(4-methyl-1,3-thiazol-2-yl)-N-(3-phenylpropyl)propanamide?
The InChIKey is HITFBBYESUZDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-13-12-20-16(18-13)10-9-15(19)17-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,12H,5,8-11H2,1H3,(H,17,19).
What are the key properties of 3-(4-methyl-1,3-thiazol-2-yl)-N-(3-phenylpropyl)propanamide?
3-(4-methyl-1,3-thiazol-2-yl)-N-(3-phenylpropyl)propanamide has a molecular weight of 288.42 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,3-thiazol-2-yl)-N-(3-phenylpropyl)propanamide is sourced from PubChem (CID 110388471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).