1-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-3-prop-2-enylurea

C15H15N5O2S — CID 90571218

IUPAC1-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1cc(C)nn1-c1nc(-c2ccco2)cs1
InChIInChI=1S/C15H15N5O2S/c1-3-6-16-14(21)18-13-8-10(2)19-20(13)15-17-11(9-23-15)12-5-4-7-22-12/h3-5,7-9H,1,6H2,2H3,(H2,16,18,21)
InChIKeyIMBIUWKYVRTUFC-UHFFFAOYSA-N
MW329.39 g/mol
LogP3.20
Rot. Bonds5

About 1-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-3-prop-2-enylurea

1-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-3-prop-2-enylurea (PubChem CID 90571218) has the molecular formula C15H15N5O2S and a molecular weight of 329.39 g/mol. Its IUPAC name is 1-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-3-prop-2-enylurea.

Molecular Properties

Compound Name1-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-3-prop-2-enylurea
PubChem CID90571218
Molecular FormulaC15H15N5O2S
Molecular Weight329.39 g/mol
Exact Mass329.09
IUPAC Name1-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1cc(C)nn1-c1nc(-c2ccco2)cs1
InChIInChI=1S/C15H15N5O2S/c1-3-6-16-14(21)18-13-8-10(2)19-20(13)15-17-11(9-23-15)12-5-4-7-22-12/h3-5,7-9H,1,6H2,2H3,(H2,16,18,21)
InChIKeyIMBIUWKYVRTUFC-UHFFFAOYSA-N
XLogP3.20
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 90571121
N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 90571131
N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 90571069
3-(4-fluorophenyl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 90571163
3-(2,4-dioxopyrimidin-1-yl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]propanamide
CID 90571100
N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzenesulfonamide
CID 90571226
3,5-difluoro-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzenesulfonamide
CID 90571289
2,5-difluoro-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzenesulfonamide
CID 90571280
methyl 3-[[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]sulfamoyl]thiophene-2-carboxylate
CID 90571288
N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 90571164
2-(2,6-dioxopiperidin-1-yl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]ethanesulfonamide
CID 90571252
N-[2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]furan-2-carboxamide
CID 25282198

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-3-prop-2-enylurea?
The IUPAC name of 1-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-3-prop-2-enylurea (CID 90571218) is 1-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-3-prop-2-enylurea.
What is the SMILES notation for 1-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-3-prop-2-enylurea?
The canonical SMILES for 1-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-3-prop-2-enylurea is C=CCNC(=O)Nc1cc(C)nn1-c1nc(-c2ccco2)cs1.
What is the InChIKey of 1-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-3-prop-2-enylurea?
The InChIKey is IMBIUWKYVRTUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c1-3-6-16-14(21)18-13-8-10(2)19-20(13)15-17-11(9-23-15)12-5-4-7-22-12/h3-5,7-9H,1,6H2,2H3,(H2,16,18,21).
What are the key properties of 1-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-3-prop-2-enylurea?
1-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-3-prop-2-enylurea has a molecular weight of 329.39 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-3-prop-2-enylurea is sourced from PubChem (CID 90571218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).