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

C11H20N2S — CID 61044563

IUPAC2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
SMILESCCC(NCc1nc(C)cs1)C(C)C
InChIInChI=1S/C11H20N2S/c1-5-10(8(2)3)12-6-11-13-9(4)7-14-11/h7-8,10,12H,5-6H2,1-4H3
InChIKeyBUZWKPBFQJCIJU-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.98
Rot. Bonds5

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

2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-3-amine (PubChem CID 61044563) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
PubChem CID61044563
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
SMILESCCC(NCc1nc(C)cs1)C(C)C
InChIInChI=1S/C11H20N2S/c1-5-10(8(2)3)12-6-11-13-9(4)7-14-11/h7-8,10,12H,5-6H2,1-4H3
InChIKeyBUZWKPBFQJCIJU-UHFFFAOYSA-N
XLogP2.98
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 107859632
1-methylsulfanyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine
CID 115900037
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
CID 62794828
N-[(4-methyl-1,3-thiazol-2-yl)methyl]but-3-en-2-amine
CID 115691306
2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 61043484
3-[(4-methyl-1,3-thiazol-2-yl)methylamino]pentan-1-ol
CID 111449241
1-ethylsulfanyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 115660732
1-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol
CID 61044334
1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 54913457
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pent-4-en-2-amine
CID 115633786
N-ethyl-3,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
CID 105019512
1-(4-ethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 54912825

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-3-amine?
The IUPAC name of 2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-3-amine (CID 61044563) is 2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-3-amine.
What is the SMILES notation for 2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-3-amine?
The canonical SMILES for 2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-3-amine is CCC(NCc1nc(C)cs1)C(C)C.
What is the InChIKey of 2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-3-amine?
The InChIKey is BUZWKPBFQJCIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-5-10(8(2)3)12-6-11-13-9(4)7-14-11/h7-8,10,12H,5-6H2,1-4H3.
What are the key properties of 2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-3-amine?
2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-3-amine has a molecular weight of 212.36 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-3-amine is sourced from PubChem (CID 61044563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).