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

C11H15N5OS — CID 75434350

IUPAC1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-ethyl-1,3-thiazol-2-yl)urea
SMILESCCc1csc(NC(=O)Nc2c(C)n[nH]c2C)n1
InChIInChI=1S/C11H15N5OS/c1-4-8-5-18-11(12-8)14-10(17)13-9-6(2)15-16-7(9)3/h5H,4H2,1-3H3,(H,15,16)(H2,12,13,14,17)
InChIKeyNGDHBCBDQKNKMJ-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.69
Rot. Bonds3

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

1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-ethyl-1,3-thiazol-2-yl)urea (PubChem CID 75434350) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-ethyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-ethyl-1,3-thiazol-2-yl)urea
PubChem CID75434350
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-ethyl-1,3-thiazol-2-yl)urea
SMILESCCc1csc(NC(=O)Nc2c(C)n[nH]c2C)n1
InChIInChI=1S/C11H15N5OS/c1-4-8-5-18-11(12-8)14-10(17)13-9-6(2)15-16-7(9)3/h5H,4H2,1-3H3,(H,15,16)(H2,12,13,14,17)
InChIKeyNGDHBCBDQKNKMJ-UHFFFAOYSA-N
XLogP2.69
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-Acetylamino-thiazole-4-carboxylic acid (3,5-dimethyl-1H-pyrazol-4-yl)-amide
CID 652326
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 56781018
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 71893485
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 43250632
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 43382438
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 43546450
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 43546554
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 43546767
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 43546789
N-ethyl-N-[4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 43665494
N-[4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 43665620
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea
CID 48783517

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-ethyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-ethyl-1,3-thiazol-2-yl)urea (CID 75434350) is 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-ethyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-ethyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-ethyl-1,3-thiazol-2-yl)urea is CCc1csc(NC(=O)Nc2c(C)n[nH]c2C)n1.
What is the InChIKey of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-ethyl-1,3-thiazol-2-yl)urea?
The InChIKey is NGDHBCBDQKNKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-4-8-5-18-11(12-8)14-10(17)13-9-6(2)15-16-7(9)3/h5H,4H2,1-3H3,(H,15,16)(H2,12,13,14,17).
What are the key properties of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-ethyl-1,3-thiazol-2-yl)urea?
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-ethyl-1,3-thiazol-2-yl)urea has a molecular weight of 265.34 g/mol, XLogP of 2.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-ethyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 75434350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).