4-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-oxazol-2-amine

C12H12N2OS — CID 116832451

IUPAC4-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-oxazol-2-amine
SMILESNc1nc(-c2ccc3c(c2)CCCS3)co1
InChIInChI=1S/C12H12N2OS/c13-12-14-10(7-15-12)8-3-4-11-9(6-8)2-1-5-16-11/h3-4,6-7H,1-2,5H2,(H2,13,14)
InChIKeyRDSYKWKGRZQSMC-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.96
Rot. Bonds1

About 4-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-oxazol-2-amine

4-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-oxazol-2-amine (PubChem CID 116832451) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-oxazol-2-amine
PubChem CID116832451
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name4-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-oxazol-2-amine
SMILESNc1nc(-c2ccc3c(c2)CCCS3)co1
InChIInChI=1S/C12H12N2OS/c13-12-14-10(7-15-12)8-3-4-11-9(6-8)2-1-5-16-11/h3-4,6-7H,1-2,5H2,(H2,13,14)
InChIKeyRDSYKWKGRZQSMC-UHFFFAOYSA-N
XLogP2.96
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3,4-dihydro-2H-thiochromen-6-yl)-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

Related Compounds

4-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-1,3-oxazol-2-amine
CID 116832452
2-bromo-4-(3,4-dihydro-2H-thiochromen-6-yl)-6-methylpyrimidine
CID 116897312
4-(9H-fluoren-2-yl)-1,3-oxazol-2-amine
CID 62065372
6-(3,4-dihydro-2H-thiochromen-6-yl)pyrimidine-4-carbaldehyde
CID 116857789
5-(3,4-dihydro-2H-thiochromen-6-yl)-1H-pyrazole
CID 116869078
2-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-thiazole-4-carbonitrile
CID 116889966
4-(3-amino-4-chlorophenyl)-1,3-oxazol-2-amine
CID 115026640
[4-bromo-3-(3,4-dihydro-2H-thiochromen-6-yl)-1H-pyrazol-5-yl]methanamine
CID 84606128
5-(3,4-dihydro-2H-thiochromen-7-yl)-1H-pyrazol-3-amine
CID 117334794
2-(3,4-dihydro-2H-thiochromen-6-yl)ethyl-trimethylsilane
CID 150445494
2-[4-[3-(3,4-dihydro-2H-thiochromen-6-yl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]-6-methylpyridine
CID 69350797
6-(bromomethyl)-3,4-dihydro-2H-thiochromene
CID 116932395

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-oxazol-2-amine?
The IUPAC name of 4-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-oxazol-2-amine (CID 116832451) is 4-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-oxazol-2-amine.
What is the SMILES notation for 4-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-oxazol-2-amine?
The canonical SMILES for 4-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-oxazol-2-amine is Nc1nc(-c2ccc3c(c2)CCCS3)co1.
What is the InChIKey of 4-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-oxazol-2-amine?
The InChIKey is RDSYKWKGRZQSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c13-12-14-10(7-15-12)8-3-4-11-9(6-8)2-1-5-16-11/h3-4,6-7H,1-2,5H2,(H2,13,14).
What are the key properties of 4-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-oxazol-2-amine?
4-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-oxazol-2-amine has a molecular weight of 232.31 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-oxazol-2-amine is sourced from PubChem (CID 116832451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).