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

C10H16N2S — CID 115633786

IUPACN-[(4-methyl-1,3-thiazol-2-yl)methyl]pent-4-en-2-amine
SMILESC=CCC(C)NCc1nc(C)cs1
InChIInChI=1S/C10H16N2S/c1-4-5-8(2)11-6-10-12-9(3)7-13-10/h4,7-8,11H,1,5-6H2,2-3H3
InChIKeyFUDUDKCASVNQTD-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.51
Rot. Bonds5

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

N-[(4-methyl-1,3-thiazol-2-yl)methyl]pent-4-en-2-amine (PubChem CID 115633786) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-2-yl)methyl]pent-4-en-2-amine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]pent-4-en-2-amine
PubChem CID115633786
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]pent-4-en-2-amine
SMILESC=CCC(C)NCc1nc(C)cs1
InChIInChI=1S/C10H16N2S/c1-4-5-8(2)11-6-10-12-9(3)7-13-10/h4,7-8,11H,1,5-6H2,2-3H3
InChIKeyFUDUDKCASVNQTD-UHFFFAOYSA-N
XLogP2.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.51
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

N-[(4-methyl-1,3-thiazol-2-yl)methyl]but-3-en-2-amine
CID 115691306
1-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 107859632
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pent-4-en-2-amine
CID 115633034
1-ethylsulfanyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 115660732
2-[(4-methyl-1,3-thiazol-2-yl)methylamino]-N-prop-2-enylpropanamide
CID 61043268
2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 61044563
4-methylsulfinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine
CID 115697611
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 78992450
1-(3-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 115633676
3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol
CID 84595105
(1R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 81410306
1-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 54912925

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]pent-4-en-2-amine?
The IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]pent-4-en-2-amine (CID 115633786) is N-[(4-methyl-1,3-thiazol-2-yl)methyl]pent-4-en-2-amine.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-2-yl)methyl]pent-4-en-2-amine?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-2-yl)methyl]pent-4-en-2-amine is C=CCC(C)NCc1nc(C)cs1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-2-yl)methyl]pent-4-en-2-amine?
The InChIKey is FUDUDKCASVNQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-4-5-8(2)11-6-10-12-9(3)7-13-10/h4,7-8,11H,1,5-6H2,2-3H3.
What are the key properties of N-[(4-methyl-1,3-thiazol-2-yl)methyl]pent-4-en-2-amine?
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pent-4-en-2-amine has a molecular weight of 196.32 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-2-yl)methyl]pent-4-en-2-amine is sourced from PubChem (CID 115633786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).