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

C8H13ClN2S — CID 83153720

IUPAC4-chloro-N-(3-methylbutyl)-1,3-thiazol-2-amine
SMILESCC(C)CCNc1nc(Cl)cs1
InChIInChI=1S/C8H13ClN2S/c1-6(2)3-4-10-8-11-7(9)5-12-8/h5-6H,3-4H2,1-2H3,(H,10,11)
InChIKeyLLLUGXQKZVLZDU-UHFFFAOYSA-N
MW204.73 g/mol
LogP3.25
Rot. Bonds4

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

4-chloro-N-(3-methylbutyl)-1,3-thiazol-2-amine (PubChem CID 83153720) has the molecular formula C8H13ClN2S and a molecular weight of 204.73 g/mol. Its IUPAC name is 4-chloro-N-(3-methylbutyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-(3-methylbutyl)-1,3-thiazol-2-amine
PubChem CID83153720
Molecular FormulaC8H13ClN2S
Molecular Weight204.73 g/mol
Exact Mass204.05
IUPAC Name4-chloro-N-(3-methylbutyl)-1,3-thiazol-2-amine
SMILESCC(C)CCNc1nc(Cl)cs1
InChIInChI=1S/C8H13ClN2S/c1-6(2)3-4-10-8-11-7(9)5-12-8/h5-6H,3-4H2,1-2H3,(H,10,11)
InChIKeyLLLUGXQKZVLZDU-UHFFFAOYSA-N
XLogP3.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.73
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methylbutyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-(3-methylbutyl)-1,3-thiazol-2-amine (CID 83153720) is 4-chloro-N-(3-methylbutyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-(3-methylbutyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-(3-methylbutyl)-1,3-thiazol-2-amine is CC(C)CCNc1nc(Cl)cs1.
What is the InChIKey of 4-chloro-N-(3-methylbutyl)-1,3-thiazol-2-amine?
The InChIKey is LLLUGXQKZVLZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2S/c1-6(2)3-4-10-8-11-7(9)5-12-8/h5-6H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 4-chloro-N-(3-methylbutyl)-1,3-thiazol-2-amine?
4-chloro-N-(3-methylbutyl)-1,3-thiazol-2-amine has a molecular weight of 204.73 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-methylbutyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 83153720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).