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

C8H9ClN4S — CID 79775318

IUPAC5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1c(Cl)cnn1Cc1cnc(N)s1
InChIInChI=1S/C8H9ClN4S/c1-5-7(9)3-12-13(5)4-6-2-11-8(10)14-6/h2-3H,4H2,1H3,(H2,10,11)
InChIKeyUQCYFNNTPJIEKT-UHFFFAOYSA-N
MW228.71 g/mol
LogP1.93
Rot. Bonds2

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

5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 79775318) has the molecular formula C8H9ClN4S and a molecular weight of 228.71 g/mol. Its IUPAC name is 5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine
PubChem CID79775318
Molecular FormulaC8H9ClN4S
Molecular Weight228.71 g/mol
Exact Mass228.02
IUPAC Name5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1c(Cl)cnn1Cc1cnc(N)s1
InChIInChI=1S/C8H9ClN4S/c1-5-7(9)3-12-13(5)4-6-2-11-8(10)14-6/h2-3H,4H2,1H3,(H2,10,11)
InChIKeyUQCYFNNTPJIEKT-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 5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine (CID 79775318) is 5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine is Cc1c(Cl)cnn1Cc1cnc(N)s1.
What is the InChIKey of 5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is UQCYFNNTPJIEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4S/c1-5-7(9)3-12-13(5)4-6-2-11-8(10)14-6/h2-3H,4H2,1H3,(H2,10,11).
What are the key properties of 5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine?
5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-1,3-thiazol-2-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 5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79775318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).