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

C14H13ClN4S — CID 82528304

IUPAC4-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2cnn(-c3ccccc3Cl)c2C)cs1
InChIInChI=1S/C14H13ClN4S/c1-9-10(12-8-20-14(16-2)18-12)7-17-19(9)13-6-4-3-5-11(13)15/h3-8H,1-2H3,(H,16,18)
InChIKeyKZHIRNAXHUVYSC-UHFFFAOYSA-N
MW304.81 g/mol
LogP4.00
Rot. Bonds3

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

4-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 82528304) has the molecular formula C14H13ClN4S and a molecular weight of 304.81 g/mol. Its IUPAC name is 4-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3-thiazol-2-amine
PubChem CID82528304
Molecular FormulaC14H13ClN4S
Molecular Weight304.81 g/mol
Exact Mass304.05
IUPAC Name4-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2cnn(-c3ccccc3Cl)c2C)cs1
InChIInChI=1S/C14H13ClN4S/c1-9-10(12-8-20-14(16-2)18-12)7-17-19(9)13-6-4-3-5-11(13)15/h3-8H,1-2H3,(H,16,18)
InChIKeyKZHIRNAXHUVYSC-UHFFFAOYSA-N
XLogP4.00
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.81
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3-thiazol-2-amine
CID 82528526
4-[[4-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]phenol
CID 58910928
N-methyl-4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-amine
CID 83801577
N-ethyl-4-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1,3-thiazol-2-amine
CID 82528750
N-methyl-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine
CID 11436742
N-(1H-indazol-4-yl)-4-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-amine
CID 58911051
[2-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]methanol
CID 88788468
1-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 43381499
N-ethyl-5-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1,3,4-thiadiazol-2-amine
CID 82528402
N-methyl-4-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine
CID 59363535
4-(2,4-dimethylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 17465165
4-(2-bromo-4-chlorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 86657697

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3-thiazol-2-amine (CID 82528304) is 4-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3-thiazol-2-amine is CNc1nc(-c2cnn(-c3ccccc3Cl)c2C)cs1.
What is the InChIKey of 4-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is KZHIRNAXHUVYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4S/c1-9-10(12-8-20-14(16-2)18-12)7-17-19(9)13-6-4-3-5-11(13)15/h3-8H,1-2H3,(H,16,18).
What are the key properties of 4-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3-thiazol-2-amine?
4-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 304.81 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 82528304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).