N-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-amine

C13H12N4S — CID 90988497

IUPACN-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-amine
SMILESCc1c(Nc2nccs2)cnn1-c1ccccc1
InChIInChI=1S/C13H12N4S/c1-10-12(16-13-14-7-8-18-13)9-15-17(10)11-5-3-2-4-6-11/h2-9H,1H3,(H,14,16)
InChIKeyHAZDWUDHLZGVHS-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.38
Rot. Bonds3

About N-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-amine

N-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-amine (PubChem CID 90988497) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-amine
PubChem CID90988497
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC NameN-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-amine
SMILESCc1c(Nc2nccs2)cnn1-c1ccccc1
InChIInChI=1S/C13H12N4S/c1-10-12(16-13-14-7-8-18-13)9-15-17(10)11-5-3-2-4-6-11/h2-9H,1H3,(H,14,16)
InChIKeyHAZDWUDHLZGVHS-UHFFFAOYSA-N
XLogP3.38
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-1-phenylpyrazol-4-yl)quinazolin-4-amine
CID 133387317
1-N-pyrimidin-2-yl-2-N-(1,3-thiazol-2-yl)benzene-1,2-diamine
CID 123214519
N-(2-fluorophenyl)-1,3-thiazol-2-amine
CID 82537266
methyl 3-[(5-methyl-1-phenylpyrazol-4-yl)amino]pyridine-4-carboxylate
CID 118969872
N-(5-methyl-1-phenylpyrazol-4-yl)pyridine-4-carboxamide
CID 11242907
5-cyclopropyl-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 39992666
3-chloro-N-(5-methyl-1-phenylpyrazol-4-yl)-5-nitropyridin-2-amine
CID 133387375
4-methoxy-N-(5-methyl-1-phenylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 69085770
N-(1H-indazol-4-yl)-4-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-amine
CID 58911051
4-[[4-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]phenol
CID 58910928
1,5-diphenyltetrazole;2-methyl-1,3-thiazole
CID 175112675
N-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-amine
CID 91534267

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-amine (CID 90988497) is N-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-amine is Cc1c(Nc2nccs2)cnn1-c1ccccc1.
What is the InChIKey of N-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-amine?
The InChIKey is HAZDWUDHLZGVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c1-10-12(16-13-14-7-8-18-13)9-15-17(10)11-5-3-2-4-6-11/h2-9H,1H3,(H,14,16).
What are the key properties of N-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-amine?
N-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-amine has a molecular weight of 256.33 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 90988497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).