N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-methyl-1,2-oxazol-3-amine

C8H8ClN3OS — CID 130908609

IUPACN-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-methyl-1,2-oxazol-3-amine
SMILESCc1conc1NCc1ncc(Cl)s1
InChIInChI=1S/C8H8ClN3OS/c1-5-4-13-12-8(5)11-3-7-10-2-6(9)14-7/h2,4H,3H2,1H3,(H,11,12)
InChIKeyMWYFDJOIXGVFBM-UHFFFAOYSA-N
MW229.69 g/mol
LogP2.71
Rot. Bonds3

About N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-methyl-1,2-oxazol-3-amine

N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-methyl-1,2-oxazol-3-amine (PubChem CID 130908609) has the molecular formula C8H8ClN3OS and a molecular weight of 229.69 g/mol. Its IUPAC name is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-methyl-1,2-oxazol-3-amine
PubChem CID130908609
Molecular FormulaC8H8ClN3OS
Molecular Weight229.69 g/mol
Exact Mass229.01
IUPAC NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-methyl-1,2-oxazol-3-amine
SMILESCc1conc1NCc1ncc(Cl)s1
InChIInChI=1S/C8H8ClN3OS/c1-5-4-13-12-8(5)11-3-7-10-2-6(9)14-7/h2,4H,3H2,1H3,(H,11,12)
InChIKeyMWYFDJOIXGVFBM-UHFFFAOYSA-N
XLogP2.71
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.69
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-methyl-1,2-oxazol-3-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-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,4-dimethylaniline
CID 104878720
4-bromo-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2,6-dimethylaniline
CID 104921699
N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 130736430
N-[(5-chloro-1,3-thiazol-2-yl)methyl]prop-2-yn-1-amine
CID 104878439
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 104879334
N-[(5-chloro-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 66223891
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)methanamine
CID 104879256
6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyridin-3-amine
CID 104877929
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methylbutan-2-amine
CID 104878932
3-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-5-fluoroaniline
CID 104879426
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 104878939
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2,4-difluoroaniline
CID 104921572

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-methyl-1,2-oxazol-3-amine?
The IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-methyl-1,2-oxazol-3-amine (CID 130908609) is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-methyl-1,2-oxazol-3-amine?
The canonical SMILES for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-methyl-1,2-oxazol-3-amine is Cc1conc1NCc1ncc(Cl)s1.
What is the InChIKey of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-methyl-1,2-oxazol-3-amine?
The InChIKey is MWYFDJOIXGVFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3OS/c1-5-4-13-12-8(5)11-3-7-10-2-6(9)14-7/h2,4H,3H2,1H3,(H,11,12).
What are the key properties of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-methyl-1,2-oxazol-3-amine?
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-methyl-1,2-oxazol-3-amine has a molecular weight of 229.69 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 130908609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).