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

C9H14N2S — CID 115691306

IUPACN-[(4-methyl-1,3-thiazol-2-yl)methyl]but-3-en-2-amine
SMILESC=CC(C)NCc1nc(C)cs1
InChIInChI=1S/C9H14N2S/c1-4-7(2)10-5-9-11-8(3)6-12-9/h4,6-7,10H,1,5H2,2-3H3
InChIKeyNERKIZSRGNXUSF-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.12
Rot. Bonds4

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

N-[(4-methyl-1,3-thiazol-2-yl)methyl]but-3-en-2-amine (PubChem CID 115691306) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-2-yl)methyl]but-3-en-2-amine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]but-3-en-2-amine
PubChem CID115691306
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]but-3-en-2-amine
SMILESC=CC(C)NCc1nc(C)cs1
InChIInChI=1S/C9H14N2S/c1-4-7(2)10-5-9-11-8(3)6-12-9/h4,6-7,10H,1,5H2,2-3H3
InChIKeyNERKIZSRGNXUSF-UHFFFAOYSA-N
XLogP2.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.12
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]pent-4-en-2-amine
CID 115633786
2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 61044563
1-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 107859632
2-[(4-methyl-1,3-thiazol-2-yl)methylamino]-N-prop-2-enylpropanamide
CID 61043268
4-methylsulfinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine
CID 115697611
1-ethylsulfanyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 115660732
(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
4-[1-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenol
CID 54912829
N,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]propanamide
CID 61043134
1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 61044333
1-(4-ethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 54912825

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]but-3-en-2-amine?
The IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]but-3-en-2-amine (CID 115691306) is N-[(4-methyl-1,3-thiazol-2-yl)methyl]but-3-en-2-amine.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-2-yl)methyl]but-3-en-2-amine?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-2-yl)methyl]but-3-en-2-amine is C=CC(C)NCc1nc(C)cs1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-2-yl)methyl]but-3-en-2-amine?
The InChIKey is NERKIZSRGNXUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-4-7(2)10-5-9-11-8(3)6-12-9/h4,6-7,10H,1,5H2,2-3H3.
What are the key properties of N-[(4-methyl-1,3-thiazol-2-yl)methyl]but-3-en-2-amine?
N-[(4-methyl-1,3-thiazol-2-yl)methyl]but-3-en-2-amine has a molecular weight of 182.29 g/mol, XLogP of 2.12, 4 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]but-3-en-2-amine is sourced from PubChem (CID 115691306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).