1-[(E)-2-cyclopropylethenyl]-3-(4,5-dihydro-1,3-thiazol-2-yl)urea

C9H13N3OS — CID 108915915

IUPAC1-[(E)-2-cyclopropylethenyl]-3-(4,5-dihydro-1,3-thiazol-2-yl)urea
SMILESO=C(N/C=C/C1CC1)NC1=NCCS1
InChIInChI=1S/C9H13N3OS/c13-8(10-4-3-7-1-2-7)12-9-11-5-6-14-9/h3-4,7H,1-2,5-6H2,(H2,10,11,12,13)/b4-3+
InChIKeyYTPVBYAIJFWMCQ-ONEGZZNKSA-N
MW211.29 g/mol
LogP1.31
Rot. Bonds2

About 1-[(E)-2-cyclopropylethenyl]-3-(4,5-dihydro-1,3-thiazol-2-yl)urea

1-[(E)-2-cyclopropylethenyl]-3-(4,5-dihydro-1,3-thiazol-2-yl)urea (PubChem CID 108915915) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 1-[(E)-2-cyclopropylethenyl]-3-(4,5-dihydro-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(E)-2-cyclopropylethenyl]-3-(4,5-dihydro-1,3-thiazol-2-yl)urea
PubChem CID108915915
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name1-[(E)-2-cyclopropylethenyl]-3-(4,5-dihydro-1,3-thiazol-2-yl)urea
SMILESO=C(N/C=C/C1CC1)NC1=NCCS1
InChIInChI=1S/C9H13N3OS/c13-8(10-4-3-7-1-2-7)12-9-11-5-6-14-9/h3-4,7H,1-2,5-6H2,(H2,10,11,12,13)/b4-3+
InChIKeyYTPVBYAIJFWMCQ-ONEGZZNKSA-N
XLogP1.31
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyclopropylethenyl]-3-(4,5-dihydro-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[(E)-2-cyclopropylethenyl]-3-(4,5-dihydro-1,3-thiazol-2-yl)urea (CID 108915915) is 1-[(E)-2-cyclopropylethenyl]-3-(4,5-dihydro-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[(E)-2-cyclopropylethenyl]-3-(4,5-dihydro-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[(E)-2-cyclopropylethenyl]-3-(4,5-dihydro-1,3-thiazol-2-yl)urea is O=C(N/C=C/C1CC1)NC1=NCCS1.
What is the InChIKey of 1-[(E)-2-cyclopropylethenyl]-3-(4,5-dihydro-1,3-thiazol-2-yl)urea?
The InChIKey is YTPVBYAIJFWMCQ-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H13N3OS/c13-8(10-4-3-7-1-2-7)12-9-11-5-6-14-9/h3-4,7H,1-2,5-6H2,(H2,10,11,12,13)/b4-3+.
What are the key properties of 1-[(E)-2-cyclopropylethenyl]-3-(4,5-dihydro-1,3-thiazol-2-yl)urea?
1-[(E)-2-cyclopropylethenyl]-3-(4,5-dihydro-1,3-thiazol-2-yl)urea has a molecular weight of 211.29 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyclopropylethenyl]-3-(4,5-dihydro-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 108915915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).