1-(1-methylpyrazol-3-yl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea

C16H17N5OS — CID 71973689

IUPAC1-(1-methylpyrazol-3-yl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea
SMILESCn1ccc(NC(=O)NCCc2csc(-c3ccccc3)n2)n1
InChIInChI=1S/C16H17N5OS/c1-21-10-8-14(20-21)19-16(22)17-9-7-13-11-23-15(18-13)12-5-3-2-4-6-12/h2-6,8,10-11H,7,9H2,1H3,(H2,17,19,20,22)
InChIKeyUSIWOFRSXAQMGY-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.91
Rot. Bonds5

About 1-(1-methylpyrazol-3-yl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea

1-(1-methylpyrazol-3-yl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea (PubChem CID 71973689) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea
PubChem CID71973689
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name1-(1-methylpyrazol-3-yl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea
SMILESCn1ccc(NC(=O)NCCc2csc(-c3ccccc3)n2)n1
InChIInChI=1S/C16H17N5OS/c1-21-10-8-14(20-21)19-16(22)17-9-7-13-11-23-15(18-13)12-5-3-2-4-6-12/h2-6,8,10-11H,7,9H2,1H3,(H2,17,19,20,22)
InChIKeyUSIWOFRSXAQMGY-UHFFFAOYSA-N
XLogP2.91
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1s)-1-(5-{[1-(2,6-Difluorobenzyl)-1h-Pyrazol-3-Yl]amino}-1,3,4-Thiadiazol-2-Yl)-1-(4-Methyl-1,3-Thiazol-2-Yl)ethanol
CID 46927949
Thiazole derivative 4
CID 73891136
1-[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]-3-(1,3-Thiazol-2-Yl)urea
CID 51035417
1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-[4-(pyridin-4-ylsulfanylmethyl)-phenyl]-urea
CID 17941480
1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-[4-(pyridin-4-ylmethylsulfanyl)-phenyl]-urea
CID 44286082
1-[5-[[1-[(2,6-Difluorophenyl)methyl]pyrazol-3-yl]amino]-1,3,4-thiadiazol-2-yl]-1-(4-methylthiazol-2-yl)ethanol
CID 46946547
3-[[4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]carbamoylamino]-N-(3-methyl-2H-pyrrol-5-yl)propanamide
CID 58532021
N-[4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]acetamide
CID 70686829
N-(1-{1-[(4-isopropyl-1,3-thiazol-2-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-2-phenylacetamide
CID 24819278
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrazole-4-carboxamide
CID 56836261
1-[5-tert-Butyl-2-(3-fluoro-phenyl)-2H-pyrazol-3-yl]-3-[5-(2-pyridin-4-yl-ethyl)-thiazol-2-yl]-urea
CID 151283344
1-[5-tert-Butyl-2-(4-fluoro-phenyl)-2H-pyrazol-3-yl]-3-[5-(2-pyridin-4-yl-ethyl)-thiazol-2-yl]-urea
CID 152241138

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea (CID 71973689) is 1-(1-methylpyrazol-3-yl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea is Cn1ccc(NC(=O)NCCc2csc(-c3ccccc3)n2)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea?
The InChIKey is USIWOFRSXAQMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-21-10-8-14(20-21)19-16(22)17-9-7-13-11-23-15(18-13)12-5-3-2-4-6-12/h2-6,8,10-11H,7,9H2,1H3,(H2,17,19,20,22).
What are the key properties of 1-(1-methylpyrazol-3-yl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea?
1-(1-methylpyrazol-3-yl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea has a molecular weight of 327.41 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea is sourced from PubChem (CID 71973689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).