4-(5-chlorothiophen-2-yl)-N-methyl-1,3-oxazol-2-amine

C8H7ClN2OS — CID 116832484

IUPAC4-(5-chlorothiophen-2-yl)-N-methyl-1,3-oxazol-2-amine
SMILESCNc1nc(-c2ccc(Cl)s2)co1
InChIInChI=1S/C8H7ClN2OS/c1-10-8-11-5(4-12-8)6-2-3-7(9)13-6/h2-4H,1H3,(H,10,11)
InChIKeyKEYBJCZWOAZIDT-UHFFFAOYSA-N
MW214.68 g/mol
LogP3.10
Rot. Bonds2

About 4-(5-chlorothiophen-2-yl)-N-methyl-1,3-oxazol-2-amine

4-(5-chlorothiophen-2-yl)-N-methyl-1,3-oxazol-2-amine (PubChem CID 116832484) has the molecular formula C8H7ClN2OS and a molecular weight of 214.68 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-N-methyl-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-N-methyl-1,3-oxazol-2-amine
PubChem CID116832484
Molecular FormulaC8H7ClN2OS
Molecular Weight214.68 g/mol
Exact Mass214.00
IUPAC Name4-(5-chlorothiophen-2-yl)-N-methyl-1,3-oxazol-2-amine
SMILESCNc1nc(-c2ccc(Cl)s2)co1
InChIInChI=1S/C8H7ClN2OS/c1-10-8-11-5(4-12-8)6-2-3-7(9)13-6/h2-4H,1H3,(H,10,11)
InChIKeyKEYBJCZWOAZIDT-UHFFFAOYSA-N
XLogP3.10
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.68
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(5-chlorothiophen-2-yl)-N-methyl-1,3-oxazol-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

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-N-methyl-1,3-oxazol-2-amine?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-N-methyl-1,3-oxazol-2-amine (CID 116832484) is 4-(5-chlorothiophen-2-yl)-N-methyl-1,3-oxazol-2-amine.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-N-methyl-1,3-oxazol-2-amine?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-N-methyl-1,3-oxazol-2-amine is CNc1nc(-c2ccc(Cl)s2)co1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-N-methyl-1,3-oxazol-2-amine?
The InChIKey is KEYBJCZWOAZIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2OS/c1-10-8-11-5(4-12-8)6-2-3-7(9)13-6/h2-4H,1H3,(H,10,11).
What are the key properties of 4-(5-chlorothiophen-2-yl)-N-methyl-1,3-oxazol-2-amine?
4-(5-chlorothiophen-2-yl)-N-methyl-1,3-oxazol-2-amine has a molecular weight of 214.68 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-N-methyl-1,3-oxazol-2-amine is sourced from PubChem (CID 116832484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).