1-cyclopropyl-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine

C14H24N2S — CID 114274441

IUPAC1-cyclopropyl-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine
SMILESCc1csc(CNC(CCC(C)C)C2CC2)n1
InChIInChI=1S/C14H24N2S/c1-10(2)4-7-13(12-5-6-12)15-8-14-16-11(3)9-17-14/h9-10,12-13,15H,4-8H2,1-3H3
InChIKeyYKTKMYBVCPZMAQ-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.76
Rot. Bonds7

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

1-cyclopropyl-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine (PubChem CID 114274441) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 1-cyclopropyl-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine
PubChem CID114274441
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name1-cyclopropyl-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine
SMILESCc1csc(CNC(CCC(C)C)C2CC2)n1
InChIInChI=1S/C14H24N2S/c1-10(2)4-7-13(12-5-6-12)15-8-14-16-11(3)9-17-14/h9-10,12-13,15H,4-8H2,1-3H3
InChIKeyYKTKMYBVCPZMAQ-UHFFFAOYSA-N
XLogP3.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylpiperidin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 54913507
4-methyl-2-(3-methylbutyl)-1,3-thiazole
CID 115641470
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
N-[(4-methyl-1,3-thiazol-2-yl)methyl]but-3-en-2-amine
CID 115691306
N,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]propanamide
CID 61043134
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pent-4-en-2-amine
CID 115633786
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
2-[(4-methyl-1,3-thiazol-2-yl)methylamino]-N-prop-2-enylpropanamide
CID 61043268
(1R)-1-(2-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 81379728
1-ethylsulfanyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 115660732

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine?
The IUPAC name of 1-cyclopropyl-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine (CID 114274441) is 1-cyclopropyl-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine.
What is the SMILES notation for 1-cyclopropyl-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine?
The canonical SMILES for 1-cyclopropyl-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine is Cc1csc(CNC(CCC(C)C)C2CC2)n1.
What is the InChIKey of 1-cyclopropyl-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine?
The InChIKey is YKTKMYBVCPZMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-10(2)4-7-13(12-5-6-12)15-8-14-16-11(3)9-17-14/h9-10,12-13,15H,4-8H2,1-3H3.
What are the key properties of 1-cyclopropyl-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine?
1-cyclopropyl-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine has a molecular weight of 252.43 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine is sourced from PubChem (CID 114274441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).