4-chloro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-5-amine

C8H9ClN4S — CID 130580306

IUPAC4-chloro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-5-amine
SMILESCc1ncc(Cn2ncc(Cl)c2N)s1
InChIInChI=1S/C8H9ClN4S/c1-5-11-2-6(14-5)4-13-8(10)7(9)3-12-13/h2-3H,4,10H2,1H3
InChIKeyMNMBAMLBPHJVIN-UHFFFAOYSA-N
MW228.71 g/mol
LogP1.93
Rot. Bonds2

About 4-chloro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-5-amine

4-chloro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-5-amine (PubChem CID 130580306) has the molecular formula C8H9ClN4S and a molecular weight of 228.71 g/mol. Its IUPAC name is 4-chloro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-5-amine.

Molecular Properties

Compound Name4-chloro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-5-amine
PubChem CID130580306
Molecular FormulaC8H9ClN4S
Molecular Weight228.71 g/mol
Exact Mass228.02
IUPAC Name4-chloro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-5-amine
SMILESCc1ncc(Cn2ncc(Cl)c2N)s1
InChIInChI=1S/C8H9ClN4S/c1-5-11-2-6(14-5)4-13-8(10)7(9)3-12-13/h2-3H,4,10H2,1H3
InChIKeyMNMBAMLBPHJVIN-UHFFFAOYSA-N
XLogP1.93
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.71
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-5-amine?
The IUPAC name of 4-chloro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-5-amine (CID 130580306) is 4-chloro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-5-amine.
What is the SMILES notation for 4-chloro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-5-amine?
The canonical SMILES for 4-chloro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-5-amine is Cc1ncc(Cn2ncc(Cl)c2N)s1.
What is the InChIKey of 4-chloro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-5-amine?
The InChIKey is MNMBAMLBPHJVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4S/c1-5-11-2-6(14-5)4-13-8(10)7(9)3-12-13/h2-3H,4,10H2,1H3.
What are the key properties of 4-chloro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-5-amine?
4-chloro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-5-amine has a molecular weight of 228.71 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-5-amine is sourced from PubChem (CID 130580306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).