[4-tert-butyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine

C10H18N2S2 — CID 82438798

IUPAC[4-tert-butyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine
SMILESCSCc1nc(C(C)(C)C)c(CN)s1
InChIInChI=1S/C10H18N2S2/c1-10(2,3)9-7(5-11)14-8(12-9)6-13-4/h5-6,11H2,1-4H3
InChIKeyGWRYAOOEBIRMRT-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.76
Rot. Bonds3

About [4-tert-butyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine

[4-tert-butyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 82438798) has the molecular formula C10H18N2S2 and a molecular weight of 230.40 g/mol. Its IUPAC name is [4-tert-butyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID82438798
Molecular FormulaC10H18N2S2
Molecular Weight230.40 g/mol
Exact Mass230.09
IUPAC Name[4-tert-butyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine
SMILESCSCc1nc(C(C)(C)C)c(CN)s1
InChIInChI=1S/C10H18N2S2/c1-10(2,3)9-7(5-11)14-8(12-9)6-13-4/h5-6,11H2,1-4H3
InChIKeyGWRYAOOEBIRMRT-UHFFFAOYSA-N
XLogP2.76
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-tert-butyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine 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-tert-butyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-tert-butyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine (CID 82438798) is [4-tert-butyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-tert-butyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-tert-butyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine is CSCc1nc(C(C)(C)C)c(CN)s1.
What is the InChIKey of [4-tert-butyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is GWRYAOOEBIRMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S2/c1-10(2,3)9-7(5-11)14-8(12-9)6-13-4/h5-6,11H2,1-4H3.
What are the key properties of [4-tert-butyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine?
[4-tert-butyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 230.40 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82438798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).