4-methyl-5-(oxan-4-ylmethylsulfanyl)-1,3-thiazol-2-amine

C10H16N2OS2 — CID 62385880

IUPAC4-methyl-5-(oxan-4-ylmethylsulfanyl)-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1SCC1CCOCC1
InChIInChI=1S/C10H16N2OS2/c1-7-9(15-10(11)12-7)14-6-8-2-4-13-5-3-8/h8H,2-6H2,1H3,(H2,11,12)
InChIKeyCBMQPMRQVVPCKH-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.55
Rot. Bonds3

About 4-methyl-5-(oxan-4-ylmethylsulfanyl)-1,3-thiazol-2-amine

4-methyl-5-(oxan-4-ylmethylsulfanyl)-1,3-thiazol-2-amine (PubChem CID 62385880) has the molecular formula C10H16N2OS2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-methyl-5-(oxan-4-ylmethylsulfanyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-(oxan-4-ylmethylsulfanyl)-1,3-thiazol-2-amine
PubChem CID62385880
Molecular FormulaC10H16N2OS2
Molecular Weight244.38 g/mol
Exact Mass244.07
IUPAC Name4-methyl-5-(oxan-4-ylmethylsulfanyl)-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1SCC1CCOCC1
InChIInChI=1S/C10H16N2OS2/c1-7-9(15-10(11)12-7)14-6-8-2-4-13-5-3-8/h8H,2-6H2,1H3,(H2,11,12)
InChIKeyCBMQPMRQVVPCKH-UHFFFAOYSA-N
XLogP2.55
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-5-(oxan-4-ylmethylsulfanyl)-1,3-thiazol-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-methyl-5-(oxan-4-ylmethylsulfanyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-(oxan-4-ylmethylsulfanyl)-1,3-thiazol-2-amine (CID 62385880) is 4-methyl-5-(oxan-4-ylmethylsulfanyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-(oxan-4-ylmethylsulfanyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-(oxan-4-ylmethylsulfanyl)-1,3-thiazol-2-amine is Cc1nc(N)sc1SCC1CCOCC1.
What is the InChIKey of 4-methyl-5-(oxan-4-ylmethylsulfanyl)-1,3-thiazol-2-amine?
The InChIKey is CBMQPMRQVVPCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS2/c1-7-9(15-10(11)12-7)14-6-8-2-4-13-5-3-8/h8H,2-6H2,1H3,(H2,11,12).
What are the key properties of 4-methyl-5-(oxan-4-ylmethylsulfanyl)-1,3-thiazol-2-amine?
4-methyl-5-(oxan-4-ylmethylsulfanyl)-1,3-thiazol-2-amine has a molecular weight of 244.38 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(oxan-4-ylmethylsulfanyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62385880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).