2-chloro-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-thiazol-4-amine

C8H9ClN4S — CID 130686344

IUPAC2-chloro-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-thiazol-4-amine
SMILESClc1nc(NCCc2cn[nH]c2)cs1
InChIInChI=1S/C8H9ClN4S/c9-8-13-7(5-14-8)10-2-1-6-3-11-12-4-6/h3-5,10H,1-2H2,(H,11,12)
InChIKeyFNTMUSKPOKKBLL-UHFFFAOYSA-N
MW228.71 g/mol
LogP2.17
Rot. Bonds4

About 2-chloro-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-thiazol-4-amine

2-chloro-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-thiazol-4-amine (PubChem CID 130686344) has the molecular formula C8H9ClN4S and a molecular weight of 228.71 g/mol. Its IUPAC name is 2-chloro-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-chloro-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-thiazol-4-amine
PubChem CID130686344
Molecular FormulaC8H9ClN4S
Molecular Weight228.71 g/mol
Exact Mass228.02
IUPAC Name2-chloro-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-thiazol-4-amine
SMILESClc1nc(NCCc2cn[nH]c2)cs1
InChIInChI=1S/C8H9ClN4S/c9-8-13-7(5-14-8)10-2-1-6-3-11-12-4-6/h3-5,10H,1-2H2,(H,11,12)
InChIKeyFNTMUSKPOKKBLL-UHFFFAOYSA-N
XLogP2.17
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.71
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-thiazol-4-amine?
The IUPAC name of 2-chloro-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-thiazol-4-amine (CID 130686344) is 2-chloro-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-thiazol-4-amine.
What is the SMILES notation for 2-chloro-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-thiazol-4-amine?
The canonical SMILES for 2-chloro-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-thiazol-4-amine is Clc1nc(NCCc2cn[nH]c2)cs1.
What is the InChIKey of 2-chloro-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-thiazol-4-amine?
The InChIKey is FNTMUSKPOKKBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4S/c9-8-13-7(5-14-8)10-2-1-6-3-11-12-4-6/h3-5,10H,1-2H2,(H,11,12).
What are the key properties of 2-chloro-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-thiazol-4-amine?
2-chloro-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-thiazol-4-amine has a molecular weight of 228.71 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-thiazol-4-amine is sourced from PubChem (CID 130686344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).