4-chloro-N-(4-methylthiolan-3-yl)-1,3-thiazol-2-amine

C8H11ClN2S2 — CID 130857385

IUPAC4-chloro-N-(4-methylthiolan-3-yl)-1,3-thiazol-2-amine
SMILESCC1CSCC1Nc1nc(Cl)cs1
InChIInChI=1S/C8H11ClN2S2/c1-5-2-12-3-6(5)10-8-11-7(9)4-13-8/h4-6H,2-3H2,1H3,(H,10,11)
InChIKeyNECSRJCTVNRPDA-UHFFFAOYSA-N
MW234.78 g/mol
LogP2.96
Rot. Bonds2

About 4-chloro-N-(4-methylthiolan-3-yl)-1,3-thiazol-2-amine

4-chloro-N-(4-methylthiolan-3-yl)-1,3-thiazol-2-amine (PubChem CID 130857385) has the molecular formula C8H11ClN2S2 and a molecular weight of 234.78 g/mol. Its IUPAC name is 4-chloro-N-(4-methylthiolan-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-(4-methylthiolan-3-yl)-1,3-thiazol-2-amine
PubChem CID130857385
Molecular FormulaC8H11ClN2S2
Molecular Weight234.78 g/mol
Exact Mass234.01
IUPAC Name4-chloro-N-(4-methylthiolan-3-yl)-1,3-thiazol-2-amine
SMILESCC1CSCC1Nc1nc(Cl)cs1
InChIInChI=1S/C8H11ClN2S2/c1-5-2-12-3-6(5)10-8-11-7(9)4-13-8/h4-6H,2-3H2,1H3,(H,10,11)
InChIKeyNECSRJCTVNRPDA-UHFFFAOYSA-N
XLogP2.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.78
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-methylthiolan-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-(4-methylthiolan-3-yl)-1,3-thiazol-2-amine (CID 130857385) is 4-chloro-N-(4-methylthiolan-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-(4-methylthiolan-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-(4-methylthiolan-3-yl)-1,3-thiazol-2-amine is CC1CSCC1Nc1nc(Cl)cs1.
What is the InChIKey of 4-chloro-N-(4-methylthiolan-3-yl)-1,3-thiazol-2-amine?
The InChIKey is NECSRJCTVNRPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2S2/c1-5-2-12-3-6(5)10-8-11-7(9)4-13-8/h4-6H,2-3H2,1H3,(H,10,11).
What are the key properties of 4-chloro-N-(4-methylthiolan-3-yl)-1,3-thiazol-2-amine?
4-chloro-N-(4-methylthiolan-3-yl)-1,3-thiazol-2-amine has a molecular weight of 234.78 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-methylthiolan-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 130857385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).