N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pent-3-enamide

C12H18N2OS — CID 171145739

IUPACN-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pent-3-enamide
SMILESCC=CCC(=O)NCCCc1nc(C)cs1
InChIInChI=1S/C12H18N2OS/c1-3-4-6-11(15)13-8-5-7-12-14-10(2)9-16-12/h3-4,9H,5-8H2,1-2H3,(H,13,15)
InChIKeyPLNGCDHZIKCBCE-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.47
Rot. Bonds6

About N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pent-3-enamide

N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pent-3-enamide (PubChem CID 171145739) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pent-3-enamide.

Molecular Properties

Compound NameN-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pent-3-enamide
PubChem CID171145739
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC NameN-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pent-3-enamide
SMILESCC=CCC(=O)NCCCc1nc(C)cs1
InChIInChI=1S/C12H18N2OS/c1-3-4-6-11(15)13-8-5-7-12-14-10(2)9-16-12/h3-4,9H,5-8H2,1-2H3,(H,13,15)
InChIKeyPLNGCDHZIKCBCE-UHFFFAOYSA-N
XLogP2.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 39071897
3-(4-methyl-1,3-thiazol-2-yl)-N-(3-phenylpropyl)propanamide
CID 110388471
(2S,3S)-2-amino-3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide;hydrochloride
CID 154902008
2-(furan-2-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 110484644
2-(4-chlorophenoxy)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 110442694
2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazole-3-carboxamide
CID 110467157
2-(2-methoxyphenoxy)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 110443309
N-butyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484403
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 110462196
2-(4-aminophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]acetamide;dihydrochloride
CID 119875296
3-(2,4-dioxopyrimidin-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide
CID 91778461
(2E,4E)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]hexa-2,4-dienamide
CID 110461213

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pent-3-enamide?
The IUPAC name of N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pent-3-enamide (CID 171145739) is N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pent-3-enamide.
What is the SMILES notation for N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pent-3-enamide?
The canonical SMILES for N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pent-3-enamide is CC=CCC(=O)NCCCc1nc(C)cs1.
What is the InChIKey of N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pent-3-enamide?
The InChIKey is PLNGCDHZIKCBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-3-4-6-11(15)13-8-5-7-12-14-10(2)9-16-12/h3-4,9H,5-8H2,1-2H3,(H,13,15).
What are the key properties of N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pent-3-enamide?
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pent-3-enamide has a molecular weight of 238.36 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pent-3-enamide is sourced from PubChem (CID 171145739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).