N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pent-4-en-2-amine

C15H18N2S — CID 115633034

IUPACN-[(4-phenyl-1,3-thiazol-2-yl)methyl]pent-4-en-2-amine
SMILESC=CCC(C)NCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H18N2S/c1-3-7-12(2)16-10-15-17-14(11-18-15)13-8-5-4-6-9-13/h3-6,8-9,11-12,16H,1,7,10H2,2H3
InChIKeyRRPOUSXRQJEBNW-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.86
Rot. Bonds6

About N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pent-4-en-2-amine

N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pent-4-en-2-amine (PubChem CID 115633034) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pent-4-en-2-amine.

Molecular Properties

Compound NameN-[(4-phenyl-1,3-thiazol-2-yl)methyl]pent-4-en-2-amine
PubChem CID115633034
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC NameN-[(4-phenyl-1,3-thiazol-2-yl)methyl]pent-4-en-2-amine
SMILESC=CCC(C)NCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H18N2S/c1-3-7-12(2)16-10-15-17-14(11-18-15)13-8-5-4-6-9-13/h3-6,8-9,11-12,16H,1,7,10H2,2H3
InChIKeyRRPOUSXRQJEBNW-UHFFFAOYSA-N
XLogP3.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-phenyl-1,3-thiazol-2-yl)methylamino]butan-1-ol
CID 78998236
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pent-4-en-2-amine
CID 115633786
1-(4-phenyl-1,3-thiazol-2-yl)pent-4-en-2-ylhydrazine
CID 105269689
N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543018
N-[(4-phenylphenyl)methyl]pent-4-en-2-amine
CID 115633215
3-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 60961920
(2S)-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]butan-1-ol
CID 94893161
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 79016244
3-methylsulfanyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 115608434
3-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 65039690
N,4-dimethyl-5-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 79817421
2-methyl-1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 63932074

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pent-4-en-2-amine?
The IUPAC name of N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pent-4-en-2-amine (CID 115633034) is N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pent-4-en-2-amine.
What is the SMILES notation for N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pent-4-en-2-amine?
The canonical SMILES for N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pent-4-en-2-amine is C=CCC(C)NCc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pent-4-en-2-amine?
The InChIKey is RRPOUSXRQJEBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-3-7-12(2)16-10-15-17-14(11-18-15)13-8-5-4-6-9-13/h3-6,8-9,11-12,16H,1,7,10H2,2H3.
What are the key properties of N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pent-4-en-2-amine?
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pent-4-en-2-amine has a molecular weight of 258.39 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pent-4-en-2-amine is sourced from PubChem (CID 115633034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).