4-chloro-1,3-thiazol-5-amine

C3H3ClN2S — CID 69334889

IUPAC4-chloro-1,3-thiazol-5-amine
SMILESNc1scnc1Cl
InChIInChI=1S/C3H3ClN2S/c4-2-3(5)7-1-6-2/h1H,5H2
InChIKeyXJGPRINLPRMHPS-UHFFFAOYSA-N
MW134.59 g/mol
LogP1.38
Rot. Bonds

About 4-chloro-1,3-thiazol-5-amine

4-chloro-1,3-thiazol-5-amine (PubChem CID 69334889) has the molecular formula C3H3ClN2S and a molecular weight of 134.59 g/mol. Its IUPAC name is 4-chloro-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-chloro-1,3-thiazol-5-amine
PubChem CID69334889
Molecular FormulaC3H3ClN2S
Molecular Weight134.59 g/mol
Exact Mass133.97
IUPAC Name4-chloro-1,3-thiazol-5-amine
SMILESNc1scnc1Cl
InChIInChI=1S/C3H3ClN2S/c4-2-3(5)7-1-6-2/h1H,5H2
InChIKeyXJGPRINLPRMHPS-UHFFFAOYSA-N
XLogP1.38
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.59
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,3-thiazol-5-amine?
The IUPAC name of 4-chloro-1,3-thiazol-5-amine (CID 69334889) is 4-chloro-1,3-thiazol-5-amine.
What is the SMILES notation for 4-chloro-1,3-thiazol-5-amine?
The canonical SMILES for 4-chloro-1,3-thiazol-5-amine is Nc1scnc1Cl.
What is the InChIKey of 4-chloro-1,3-thiazol-5-amine?
The InChIKey is XJGPRINLPRMHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3ClN2S/c4-2-3(5)7-1-6-2/h1H,5H2.
What are the key properties of 4-chloro-1,3-thiazol-5-amine?
4-chloro-1,3-thiazol-5-amine has a molecular weight of 134.59 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,3-thiazol-5-amine is sourced from PubChem (CID 69334889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).