[2-(oxolan-3-ylmethyl)-4-propyl-1,3-thiazol-5-yl]methanamine

C12H20N2OS — CID 114361262

IUPAC[2-(oxolan-3-ylmethyl)-4-propyl-1,3-thiazol-5-yl]methanamine
SMILESCCCc1nc(CC2CCOC2)sc1CN
InChIInChI=1S/C12H20N2OS/c1-2-3-10-11(7-13)16-12(14-10)6-9-4-5-15-8-9/h9H,2-8,13H2,1H3
InChIKeyZILKAPQNXRVEKQ-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.13
Rot. Bonds5

About [2-(oxolan-3-ylmethyl)-4-propyl-1,3-thiazol-5-yl]methanamine

[2-(oxolan-3-ylmethyl)-4-propyl-1,3-thiazol-5-yl]methanamine (PubChem CID 114361262) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is [2-(oxolan-3-ylmethyl)-4-propyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(oxolan-3-ylmethyl)-4-propyl-1,3-thiazol-5-yl]methanamine
PubChem CID114361262
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name[2-(oxolan-3-ylmethyl)-4-propyl-1,3-thiazol-5-yl]methanamine
SMILESCCCc1nc(CC2CCOC2)sc1CN
InChIInChI=1S/C12H20N2OS/c1-2-3-10-11(7-13)16-12(14-10)6-9-4-5-15-8-9/h9H,2-8,13H2,1H3
InChIKeyZILKAPQNXRVEKQ-UHFFFAOYSA-N
XLogP2.13
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(oxolan-3-ylmethyl)-4-propyl-1,3-thiazol-5-yl]methanamine 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

2-methyl-N-[[2-(oxolan-3-ylmethyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364653
[4-methyl-2-(oxolan-3-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 103987924
[2-(oxolan-3-ylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114361502
[2-(2-morpholin-4-ylethyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 82433206
[2-(oxan-3-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114361278
[2-(cyclopropylmethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362179
[2-(propoxymethyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114361329
[2-(2,2-dimethylpropyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114361240
N-ethyl-5-iodo-2-(oxolan-3-ylmethyl)-6-propylpyrimidin-4-amine
CID 103987843
4-(methoxymethyl)-2-(oxolan-3-ylmethyl)-1,3-thiazole-5-carboxylic acid
CID 114359934
2-(oxolan-3-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 103987709
5-bromo-4-chloro-2-(oxolan-3-ylmethyl)-6-propylpyrimidine
CID 103986047

Frequently Asked Questions

What is the IUPAC name of [2-(oxolan-3-ylmethyl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(oxolan-3-ylmethyl)-4-propyl-1,3-thiazol-5-yl]methanamine (CID 114361262) is [2-(oxolan-3-ylmethyl)-4-propyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(oxolan-3-ylmethyl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(oxolan-3-ylmethyl)-4-propyl-1,3-thiazol-5-yl]methanamine is CCCc1nc(CC2CCOC2)sc1CN.
What is the InChIKey of [2-(oxolan-3-ylmethyl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is ZILKAPQNXRVEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-2-3-10-11(7-13)16-12(14-10)6-9-4-5-15-8-9/h9H,2-8,13H2,1H3.
What are the key properties of [2-(oxolan-3-ylmethyl)-4-propyl-1,3-thiazol-5-yl]methanamine?
[2-(oxolan-3-ylmethyl)-4-propyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 240.37 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxolan-3-ylmethyl)-4-propyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114361262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).