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

C10H18N2S — CID 60726594

IUPACN-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine
SMILESCCCc1nc(CNC(C)C)cs1
InChIInChI=1S/C10H18N2S/c1-4-5-10-12-9(7-13-10)6-11-8(2)3/h7-8,11H,4-6H2,1-3H3
InChIKeyKOMBVIRHMWWBHO-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.59
Rot. Bonds5

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

N-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine (PubChem CID 60726594) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is N-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine
PubChem CID60726594
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC NameN-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine
SMILESCCCc1nc(CNC(C)C)cs1
InChIInChI=1S/C10H18N2S/c1-4-5-10-12-9(7-13-10)6-11-8(2)3/h7-8,11H,4-6H2,1-3H3
InChIKeyKOMBVIRHMWWBHO-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 N-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-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

N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 62544830
N-[(4-hexyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 102625929
(1R)-1-[(2R)-oxolan-2-yl]-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 99821207
(2R)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95278974
N-[[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 82193942
N-[[2-(pyridin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 55086572
N-methyl-4-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 130632484
(2-propyl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 50944167
N-[[4-(2-methylbutan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62457385
N-methyl-N-[[2-[(propan-2-ylamino)methyl]-1,3-thiazol-4-yl]methyl]pentan-2-amine
CID 62434002
N-[[2-[2-(2,4-dimethylphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 82193907
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pentan-3-amine
CID 60727178

Frequently Asked Questions

What is the IUPAC name of N-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine (CID 60726594) is N-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine is CCCc1nc(CNC(C)C)cs1.
What is the InChIKey of N-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine?
The InChIKey is KOMBVIRHMWWBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-4-5-10-12-9(7-13-10)6-11-8(2)3/h7-8,11H,4-6H2,1-3H3.
What are the key properties of N-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine?
N-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-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 N-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 60726594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).