1-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea

C18H14N6OS — CID 8005181

IUPAC1-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea
SMILESO=C(Nc1nccs1)Nc1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C18H14N6OS/c25-17(22-18-20-9-10-26-18)21-15-12-24(14-6-2-1-3-7-14)23-16(15)13-5-4-8-19-11-13/h1-12H,(H2,20,21,22,25)
InChIKeyJVLAYHYKYJTKBW-UHFFFAOYSA-N
MW362.42 g/mol
LogP4.03
Rot. Bonds4

About 1-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea

1-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea (PubChem CID 8005181) has the molecular formula C18H14N6OS and a molecular weight of 362.42 g/mol. Its IUPAC name is 1-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea
PubChem CID8005181
Molecular FormulaC18H14N6OS
Molecular Weight362.42 g/mol
Exact Mass362.09
IUPAC Name1-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea
SMILESO=C(Nc1nccs1)Nc1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C18H14N6OS/c25-17(22-18-20-9-10-26-18)21-15-12-24(14-6-2-1-3-7-14)23-16(15)13-5-4-8-19-11-13/h1-12H,(H2,20,21,22,25)
InChIKeyJVLAYHYKYJTKBW-UHFFFAOYSA-N
XLogP4.03
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 883433
3-(3-bromophenyl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 1287471
3-(1,3-diphenylpyrazol-4-yl)pyridine
CID 166447662
3-(4-nitrophenyl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 1289699
3-(4-chloro-1-phenylpyrazol-3-yl)pyridine
CID 141352949
N-cyclopentyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9208931
1-phenyl-N-pyridin-3-yl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2999058
N-(2,3-dimethylphenyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 8714286
(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1-thiophen-2-ylprop-2-en-1-one
CID 5337368
3-(1,3-thiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 113447865
N-(4,5-dihydro-1,3-thiazol-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 4963802
N-(2,5-dimethylphenyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 8712640

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea (CID 8005181) is 1-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea is O=C(Nc1nccs1)Nc1cn(-c2ccccc2)nc1-c1cccnc1.
What is the InChIKey of 1-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea?
The InChIKey is JVLAYHYKYJTKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6OS/c25-17(22-18-20-9-10-26-18)21-15-12-24(14-6-2-1-3-7-14)23-16(15)13-5-4-8-19-11-13/h1-12H,(H2,20,21,22,25).
What are the key properties of 1-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea?
1-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea has a molecular weight of 362.42 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 8005181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).