1-[2-(2-cyclopropylimidazol-1-yl)ethyl]-3-thiophen-2-ylurea

C13H16N4OS — CID 91628990

IUPAC1-[2-(2-cyclopropylimidazol-1-yl)ethyl]-3-thiophen-2-ylurea
SMILESO=C(NCCn1ccnc1C1CC1)Nc1cccs1
InChIInChI=1S/C13H16N4OS/c18-13(16-11-2-1-9-19-11)15-6-8-17-7-5-14-12(17)10-3-4-10/h1-2,5,7,9-10H,3-4,6,8H2,(H2,15,16,18)
InChIKeyMQYVMSKXMSSWLD-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.64
Rot. Bonds5

About 1-[2-(2-cyclopropylimidazol-1-yl)ethyl]-3-thiophen-2-ylurea

1-[2-(2-cyclopropylimidazol-1-yl)ethyl]-3-thiophen-2-ylurea (PubChem CID 91628990) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-[2-(2-cyclopropylimidazol-1-yl)ethyl]-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-[2-(2-cyclopropylimidazol-1-yl)ethyl]-3-thiophen-2-ylurea
PubChem CID91628990
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name1-[2-(2-cyclopropylimidazol-1-yl)ethyl]-3-thiophen-2-ylurea
SMILESO=C(NCCn1ccnc1C1CC1)Nc1cccs1
InChIInChI=1S/C13H16N4OS/c18-13(16-11-2-1-9-19-11)15-6-8-17-7-5-14-12(17)10-3-4-10/h1-2,5,7,9-10H,3-4,6,8H2,(H2,15,16,18)
InChIKeyMQYVMSKXMSSWLD-UHFFFAOYSA-N
XLogP2.64
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-cyclopropylimidazol-1-yl)ethyl]-3-thiophen-2-ylurea?
The IUPAC name of 1-[2-(2-cyclopropylimidazol-1-yl)ethyl]-3-thiophen-2-ylurea (CID 91628990) is 1-[2-(2-cyclopropylimidazol-1-yl)ethyl]-3-thiophen-2-ylurea.
What is the SMILES notation for 1-[2-(2-cyclopropylimidazol-1-yl)ethyl]-3-thiophen-2-ylurea?
The canonical SMILES for 1-[2-(2-cyclopropylimidazol-1-yl)ethyl]-3-thiophen-2-ylurea is O=C(NCCn1ccnc1C1CC1)Nc1cccs1.
What is the InChIKey of 1-[2-(2-cyclopropylimidazol-1-yl)ethyl]-3-thiophen-2-ylurea?
The InChIKey is MQYVMSKXMSSWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c18-13(16-11-2-1-9-19-11)15-6-8-17-7-5-14-12(17)10-3-4-10/h1-2,5,7,9-10H,3-4,6,8H2,(H2,15,16,18).
What are the key properties of 1-[2-(2-cyclopropylimidazol-1-yl)ethyl]-3-thiophen-2-ylurea?
1-[2-(2-cyclopropylimidazol-1-yl)ethyl]-3-thiophen-2-ylurea has a molecular weight of 276.36 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-cyclopropylimidazol-1-yl)ethyl]-3-thiophen-2-ylurea is sourced from PubChem (CID 91628990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).