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

C8H11ClN2S — CID 83153628

IUPAC4-chloro-N-(2-cyclopropylethyl)-1,3-thiazol-2-amine
SMILESClc1csc(NCCC2CC2)n1
InChIInChI=1S/C8H11ClN2S/c9-7-5-12-8(11-7)10-4-3-6-1-2-6/h5-6H,1-4H2,(H,10,11)
InChIKeyJLVZJTZWCKOZFW-UHFFFAOYSA-N
MW202.71 g/mol
LogP3.01
Rot. Bonds4

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

4-chloro-N-(2-cyclopropylethyl)-1,3-thiazol-2-amine (PubChem CID 83153628) has the molecular formula C8H11ClN2S and a molecular weight of 202.71 g/mol. Its IUPAC name is 4-chloro-N-(2-cyclopropylethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2-cyclopropylethyl)-1,3-thiazol-2-amine
PubChem CID83153628
Molecular FormulaC8H11ClN2S
Molecular Weight202.71 g/mol
Exact Mass202.03
IUPAC Name4-chloro-N-(2-cyclopropylethyl)-1,3-thiazol-2-amine
SMILESClc1csc(NCCC2CC2)n1
InChIInChI=1S/C8H11ClN2S/c9-7-5-12-8(11-7)10-4-3-6-1-2-6/h5-6H,1-4H2,(H,10,11)
InChIKeyJLVZJTZWCKOZFW-UHFFFAOYSA-N
XLogP3.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.71
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-cyclopropylethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-(2-cyclopropylethyl)-1,3-thiazol-2-amine (CID 83153628) is 4-chloro-N-(2-cyclopropylethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-(2-cyclopropylethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-(2-cyclopropylethyl)-1,3-thiazol-2-amine is Clc1csc(NCCC2CC2)n1.
What is the InChIKey of 4-chloro-N-(2-cyclopropylethyl)-1,3-thiazol-2-amine?
The InChIKey is JLVZJTZWCKOZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2S/c9-7-5-12-8(11-7)10-4-3-6-1-2-6/h5-6H,1-4H2,(H,10,11).
What are the key properties of 4-chloro-N-(2-cyclopropylethyl)-1,3-thiazol-2-amine?
4-chloro-N-(2-cyclopropylethyl)-1,3-thiazol-2-amine has a molecular weight of 202.71 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-cyclopropylethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 83153628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).