2-chloro-N-[2-(oxolan-2-yl)ethyl]-1,3-thiazol-4-amine

C9H13ClN2OS — CID 131134692

IUPAC2-chloro-N-[2-(oxolan-2-yl)ethyl]-1,3-thiazol-4-amine
SMILESClc1nc(NCCC2CCCO2)cs1
InChIInChI=1S/C9H13ClN2OS/c10-9-12-8(6-14-9)11-4-3-7-2-1-5-13-7/h6-7,11H,1-5H2
InChIKeyPMXYKXCPBWIMBP-UHFFFAOYSA-N
MW232.74 g/mol
LogP2.78
Rot. Bonds4

About 2-chloro-N-[2-(oxolan-2-yl)ethyl]-1,3-thiazol-4-amine

2-chloro-N-[2-(oxolan-2-yl)ethyl]-1,3-thiazol-4-amine (PubChem CID 131134692) has the molecular formula C9H13ClN2OS and a molecular weight of 232.74 g/mol. Its IUPAC name is 2-chloro-N-[2-(oxolan-2-yl)ethyl]-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-chloro-N-[2-(oxolan-2-yl)ethyl]-1,3-thiazol-4-amine
PubChem CID131134692
Molecular FormulaC9H13ClN2OS
Molecular Weight232.74 g/mol
Exact Mass232.04
IUPAC Name2-chloro-N-[2-(oxolan-2-yl)ethyl]-1,3-thiazol-4-amine
SMILESClc1nc(NCCC2CCCO2)cs1
InChIInChI=1S/C9H13ClN2OS/c10-9-12-8(6-14-9)11-4-3-7-2-1-5-13-7/h6-7,11H,1-5H2
InChIKeyPMXYKXCPBWIMBP-UHFFFAOYSA-N
XLogP2.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.74
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[2-(oxolan-2-yl)ethyl]-1,3-thiazol-4-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

6-N-[2-(oxolan-2-yl)ethyl]pyridine-2,3,6-triamine
CID 79827367
6-chloro-N-[2-(oxan-2-yl)ethyl]pyrazin-2-amine
CID 103990689
6-chloro-2-ethyl-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 80936355
6-chloro-4-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine
CID 103888346
2-N-[2-(oxolan-2-yl)ethyl]pyrazine-2,5-diamine
CID 80652214
2-chloro-N-(oxan-3-ylmethyl)-1,3-thiazol-4-amine
CID 130686313
6-hydrazinyl-2-methyl-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 80904049
4-N-[2-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80811963
5-bromo-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64624112
6-methoxy-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine
CID 63589868
2-chloro-5-fluoro-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 79081086
5-bromo-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine
CID 61039267

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(oxolan-2-yl)ethyl]-1,3-thiazol-4-amine?
The IUPAC name of 2-chloro-N-[2-(oxolan-2-yl)ethyl]-1,3-thiazol-4-amine (CID 131134692) is 2-chloro-N-[2-(oxolan-2-yl)ethyl]-1,3-thiazol-4-amine.
What is the SMILES notation for 2-chloro-N-[2-(oxolan-2-yl)ethyl]-1,3-thiazol-4-amine?
The canonical SMILES for 2-chloro-N-[2-(oxolan-2-yl)ethyl]-1,3-thiazol-4-amine is Clc1nc(NCCC2CCCO2)cs1.
What is the InChIKey of 2-chloro-N-[2-(oxolan-2-yl)ethyl]-1,3-thiazol-4-amine?
The InChIKey is PMXYKXCPBWIMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2OS/c10-9-12-8(6-14-9)11-4-3-7-2-1-5-13-7/h6-7,11H,1-5H2.
What are the key properties of 2-chloro-N-[2-(oxolan-2-yl)ethyl]-1,3-thiazol-4-amine?
2-chloro-N-[2-(oxolan-2-yl)ethyl]-1,3-thiazol-4-amine has a molecular weight of 232.74 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(oxolan-2-yl)ethyl]-1,3-thiazol-4-amine is sourced from PubChem (CID 131134692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).