1-(5-methyl-1H-pyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea

C8H9N5OS — CID 75405901

IUPAC1-(5-methyl-1H-pyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea
SMILESCc1[nH]ncc1NC(=O)Nc1nccs1
InChIInChI=1S/C8H9N5OS/c1-5-6(4-10-13-5)11-7(14)12-8-9-2-3-15-8/h2-4H,1H3,(H,10,13)(H2,9,11,12,14)
InChIKeyNWDASYWGZUNOEI-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.82
Rot. Bonds2

About 1-(5-methyl-1H-pyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea

1-(5-methyl-1H-pyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea (PubChem CID 75405901) has the molecular formula C8H9N5OS and a molecular weight of 223.26 g/mol. Its IUPAC name is 1-(5-methyl-1H-pyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(5-methyl-1H-pyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea
PubChem CID75405901
Molecular FormulaC8H9N5OS
Molecular Weight223.26 g/mol
Exact Mass223.05
IUPAC Name1-(5-methyl-1H-pyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea
SMILESCc1[nH]ncc1NC(=O)Nc1nccs1
InChIInChI=1S/C8H9N5OS/c1-5-6(4-10-13-5)11-7(14)12-8-9-2-3-15-8/h2-4H,1H3,(H,10,13)(H2,9,11,12,14)
InChIKeyNWDASYWGZUNOEI-UHFFFAOYSA-N
XLogP1.82
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 75369889
3-(3-Methyl-1H-pyrazol-1-YL)-N-(1,3-thiazol-2-YL)propanamide
CID 45106807
N-(1H-pyrazol-5-ylmethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 45832152
tert-butyl N-[1-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-4-yl]carbamate
CID 176658808
1-[5-(Difluoromethyl)-1-methylpyrazol-4-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 71908367
N-(5-methyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 84591221
2-(ethylamino)-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazole-5-carboxamide
CID 154769739
1-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 155951281
1-[3-(Difluoromethyl)-1-methylpyrazol-4-yl]-3-(1,3-thiazol-5-ylmethyl)urea
CID 167960071
N-(1H-pyrazol-5-ylmethyl)-1,3-thiazol-2-amine
CID 60966464
5-Methyl-1-(1,3-thiazol-2-yl)pyrazol-4-amine
CID 82880797
2-(3,4-dimethylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 166474110

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1H-pyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(5-methyl-1H-pyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea (CID 75405901) is 1-(5-methyl-1H-pyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(5-methyl-1H-pyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(5-methyl-1H-pyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea is Cc1[nH]ncc1NC(=O)Nc1nccs1.
What is the InChIKey of 1-(5-methyl-1H-pyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea?
The InChIKey is NWDASYWGZUNOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5OS/c1-5-6(4-10-13-5)11-7(14)12-8-9-2-3-15-8/h2-4H,1H3,(H,10,13)(H2,9,11,12,14).
What are the key properties of 1-(5-methyl-1H-pyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea?
1-(5-methyl-1H-pyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea has a molecular weight of 223.26 g/mol, XLogP of 1.82, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1H-pyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 75405901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).