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

C13H19N5OS — CID 71802231

IUPAC1-tert-butyl-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea
SMILESCC(C)(C)NC(=O)NCCc1csc(-n2cccn2)n1
InChIInChI=1S/C13H19N5OS/c1-13(2,3)17-11(19)14-7-5-10-9-20-12(16-10)18-8-4-6-15-18/h4,6,8-9H,5,7H2,1-3H3,(H2,14,17,19)
InChIKeyGAQIKZJCOIBRLN-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.97
Rot. Bonds4

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

1-tert-butyl-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea (PubChem CID 71802231) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 1-tert-butyl-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea
PubChem CID71802231
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name1-tert-butyl-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea
SMILESCC(C)(C)NC(=O)NCCc1csc(-n2cccn2)n1
InChIInChI=1S/C13H19N5OS/c1-13(2,3)17-11(19)14-7-5-10-9-20-12(16-10)18-8-4-6-15-18/h4,6,8-9H,5,7H2,1-3H3,(H2,14,17,19)
InChIKeyGAQIKZJCOIBRLN-UHFFFAOYSA-N
XLogP1.97
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-Methyl-1,3-thiazol-2-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 45828496
1-[2-(2-Methyl-1,3-thiazol-4-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 47223734
N-(2-(2-(1H-pyrazol-1-yl)thiazol-4-yl)ethyl)cyclopropanesulfonamide
CID 71802254
1-(1,5-Dimethylpyrazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 75432206
N-(2-(2-(1H-pyrazol-1-yl)thiazol-4-yl)ethyl)-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 71802167
1-methyl-6-oxo-N-{2-[2-(1H-pyrazol-1-yl)-1,3-thiazol-4-yl]ethyl}-1,6-dihydropyridazine-3-carboxamide
CID 71802171
N-(2-(2-(1H-pyrazol-1-yl)thiazol-4-yl)ethyl)cyclopentanecarboxamide
CID 71802186
N-(2-(2-(1H-pyrazol-1-yl)thiazol-4-yl)ethyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 71802209
N-(2-(2-(1H-pyrazol-1-yl)thiazol-4-yl)ethyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 71802214
1-(2-(2-(1H-pyrazol-1-yl)thiazol-4-yl)ethyl)-3-(2-methoxyethyl)urea
CID 71802241
1-(4-ethyl-1,3-thiazol-2-yl)-N-(2-sulfanylethyl)pyrazole-4-carboxamide
CID 177679578
(2S)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide
CID 35747581

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea?
The IUPAC name of 1-tert-butyl-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea (CID 71802231) is 1-tert-butyl-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-tert-butyl-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea is CC(C)(C)NC(=O)NCCc1csc(-n2cccn2)n1.
What is the InChIKey of 1-tert-butyl-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea?
The InChIKey is GAQIKZJCOIBRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-13(2,3)17-11(19)14-7-5-10-9-20-12(16-10)18-8-4-6-15-18/h4,6,8-9H,5,7H2,1-3H3,(H2,14,17,19).
What are the key properties of 1-tert-butyl-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea?
1-tert-butyl-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea has a molecular weight of 293.40 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea is sourced from PubChem (CID 71802231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).