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

C10H18N2S — CID 61043484

IUPAC2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine
SMILESCCC(C)CNCc1nc(C)cs1
InChIInChI=1S/C10H18N2S/c1-4-8(2)5-11-6-10-12-9(3)7-13-10/h7-8,11H,4-6H2,1-3H3
InChIKeyKFKINDHTSYUCNC-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.59
Rot. Bonds5

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

2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine (PubChem CID 61043484) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine
PubChem CID61043484
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine
SMILESCCC(C)CNCc1nc(C)cs1
InChIInChI=1S/C10H18N2S/c1-4-8(2)5-11-6-10-12-9(3)7-13-10/h7-8,11H,4-6H2,1-3H3
InChIKeyKFKINDHTSYUCNC-UHFFFAOYSA-N
XLogP2.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol
CID 61044334
1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 61044333
2-chloro-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine
CID 107155892
2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 61044563
2-(2-chloroethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine
CID 106117244
4-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol
CID 78992704
1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 60760627
N,N-diethyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-phenylethane-1,2-diamine
CID 78992240
2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 80695663
2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 103698488
N-[(4-methyl-1,3-thiazol-2-yl)methyl]hexan-1-amine
CID 61042868
2-ethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 115757174

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine?
The IUPAC name of 2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine (CID 61043484) is 2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine.
What is the SMILES notation for 2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine?
The canonical SMILES for 2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine is CCC(C)CNCc1nc(C)cs1.
What is the InChIKey of 2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine?
The InChIKey is KFKINDHTSYUCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-4-8(2)5-11-6-10-12-9(3)7-13-10/h7-8,11H,4-6H2,1-3H3.
What are the key properties of 2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine?
2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine has a molecular weight of 198.33 g/mol, XLogP of 2.59, 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]butan-1-amine is sourced from PubChem (CID 61043484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).