1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea

C15H23N5OS — CID 71991778

IUPAC1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea
SMILESCCc1nc(C(C)NC(=O)Nc2cnn(CC(C)C)c2)cs1
InChIInChI=1S/C15H23N5OS/c1-5-14-19-13(9-22-14)11(4)17-15(21)18-12-6-16-20(8-12)7-10(2)3/h6,8-11H,5,7H2,1-4H3,(H2,17,18,21)
InChIKeyFXDZLZSJJYTWJI-UHFFFAOYSA-N
MW321.45 g/mol
LogP3.44
Rot. Bonds6

About 1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea

1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea (PubChem CID 71991778) has the molecular formula C15H23N5OS and a molecular weight of 321.45 g/mol. Its IUPAC name is 1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea
PubChem CID71991778
Molecular FormulaC15H23N5OS
Molecular Weight321.45 g/mol
Exact Mass321.16
IUPAC Name1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea
SMILESCCc1nc(C(C)NC(=O)Nc2cnn(CC(C)C)c2)cs1
InChIInChI=1S/C15H23N5OS/c1-5-14-19-13(9-22-14)11(4)17-15(21)18-12-6-16-20(8-12)7-10(2)3/h6,8-11H,5,7H2,1-4H3,(H2,17,18,21)
InChIKeyFXDZLZSJJYTWJI-UHFFFAOYSA-N
XLogP3.44
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111117313
1-(1-hydroxy-4-methylpentan-2-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea
CID 111475816
1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438791
1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618866
1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea
CID 111334655
1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea
CID 111455461
1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111426894
1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]urea
CID 56787628
3-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride
CID 119886493
1-[(1R)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
CID 99117209
2-(methylamino)-N-[1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 119809382
1-(1-ethylpyrazol-4-yl)-3-(1-pyridin-4-ylethyl)urea
CID 47200410

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea?
The IUPAC name of 1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea (CID 71991778) is 1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea?
The canonical SMILES for 1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea is CCc1nc(C(C)NC(=O)Nc2cnn(CC(C)C)c2)cs1.
What is the InChIKey of 1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea?
The InChIKey is FXDZLZSJJYTWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5OS/c1-5-14-19-13(9-22-14)11(4)17-15(21)18-12-6-16-20(8-12)7-10(2)3/h6,8-11H,5,7H2,1-4H3,(H2,17,18,21).
What are the key properties of 1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea?
1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea has a molecular weight of 321.45 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea is sourced from PubChem (CID 71991778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).