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

C10H13N5OS — CID 118791109

IUPAC1-(1-methylpyrazol-4-yl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea
SMILESCn1cc(NC(=O)NCCc2nccs2)cn1
InChIInChI=1S/C10H13N5OS/c1-15-7-8(6-13-15)14-10(16)12-3-2-9-11-4-5-17-9/h4-7H,2-3H2,1H3,(H2,12,14,16)
InChIKeyYGFRRVSTEZBXIL-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.24
Rot. Bonds4

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

1-(1-methylpyrazol-4-yl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea (PubChem CID 118791109) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea
PubChem CID118791109
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name1-(1-methylpyrazol-4-yl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea
SMILESCn1cc(NC(=O)NCCc2nccs2)cn1
InChIInChI=1S/C10H13N5OS/c1-15-7-8(6-13-15)14-10(16)12-3-2-9-11-4-5-17-9/h4-7H,2-3H2,1H3,(H2,12,14,16)
InChIKeyYGFRRVSTEZBXIL-UHFFFAOYSA-N
XLogP1.24
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 45803839
1-(1-Pyrazol-1-ylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea
CID 45820427
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
1-Methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 51084067
1-[1-(2-Methylpropyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea
CID 71870217
1-[1-[2-(Dimethylamino)ethyl]pyrazol-4-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea
CID 71981513
1-(2-methylpropyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-4-amine
CID 75393046
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 84592705
1-[(4-Methyl-1,3-thiazol-2-yl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 45827569
3-[(2-Tert-butyl-1,3-thiazol-4-yl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]-1-propylurea
CID 56783168
1-[1-(2-Methylpropyl)pyrazol-4-yl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 71870216

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea (CID 118791109) is 1-(1-methylpyrazol-4-yl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea is Cn1cc(NC(=O)NCCc2nccs2)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is YGFRRVSTEZBXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-15-7-8(6-13-15)14-10(16)12-3-2-9-11-4-5-17-9/h4-7H,2-3H2,1H3,(H2,12,14,16).
What are the key properties of 1-(1-methylpyrazol-4-yl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea?
1-(1-methylpyrazol-4-yl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 251.31 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 118791109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).