1-[2-(4-chloro-1,2-thiazol-5-yl)ethyl]cyclopropan-1-amine

C8H11ClN2S — CID 105454934

IUPAC1-[2-(4-chloro-1,2-thiazol-5-yl)ethyl]cyclopropan-1-amine
SMILESNC1(CCc2sncc2Cl)CC1
InChIInChI=1S/C8H11ClN2S/c9-6-5-11-12-7(6)1-2-8(10)3-4-8/h5H,1-4,10H2
InChIKeyFKOLDGZZHVJQCV-UHFFFAOYSA-N
MW202.71 g/mol
LogP2.22
Rot. Bonds3

About 1-[2-(4-chloro-1,2-thiazol-5-yl)ethyl]cyclopropan-1-amine

1-[2-(4-chloro-1,2-thiazol-5-yl)ethyl]cyclopropan-1-amine (PubChem CID 105454934) has the molecular formula C8H11ClN2S and a molecular weight of 202.71 g/mol. Its IUPAC name is 1-[2-(4-chloro-1,2-thiazol-5-yl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(4-chloro-1,2-thiazol-5-yl)ethyl]cyclopropan-1-amine
PubChem CID105454934
Molecular FormulaC8H11ClN2S
Molecular Weight202.71 g/mol
Exact Mass202.03
IUPAC Name1-[2-(4-chloro-1,2-thiazol-5-yl)ethyl]cyclopropan-1-amine
SMILESNC1(CCc2sncc2Cl)CC1
InChIInChI=1S/C8H11ClN2S/c9-6-5-11-12-7(6)1-2-8(10)3-4-8/h5H,1-4,10H2
InChIKeyFKOLDGZZHVJQCV-UHFFFAOYSA-N
XLogP2.22
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.71
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-1,2-thiazol-5-yl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(4-chloro-1,2-thiazol-5-yl)ethyl]cyclopropan-1-amine (CID 105454934) is 1-[2-(4-chloro-1,2-thiazol-5-yl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(4-chloro-1,2-thiazol-5-yl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(4-chloro-1,2-thiazol-5-yl)ethyl]cyclopropan-1-amine is NC1(CCc2sncc2Cl)CC1.
What is the InChIKey of 1-[2-(4-chloro-1,2-thiazol-5-yl)ethyl]cyclopropan-1-amine?
The InChIKey is FKOLDGZZHVJQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2S/c9-6-5-11-12-7(6)1-2-8(10)3-4-8/h5H,1-4,10H2.
What are the key properties of 1-[2-(4-chloro-1,2-thiazol-5-yl)ethyl]cyclopropan-1-amine?
1-[2-(4-chloro-1,2-thiazol-5-yl)ethyl]cyclopropan-1-amine has a molecular weight of 202.71 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-1,2-thiazol-5-yl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105454934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).