3-(1H-imidazol-5-yl)propyl N-(thiophen-2-ylmethyl)carbamate

C12H15N3O2S — CID 10515825

IUPAC3-(1H-imidazol-5-yl)propyl N-(thiophen-2-ylmethyl)carbamate
SMILESO=C(NCc1cccs1)OCCCc1cnc[nH]1
InChIInChI=1S/C12H15N3O2S/c16-12(14-8-11-4-2-6-18-11)17-5-1-3-10-7-13-9-15-10/h2,4,6-7,9H,1,3,5,8H2,(H,13,15)(H,14,16)
InChIKeyVDIHTJOZRXHYEC-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.33
Rot. Bonds6

About 3-(1H-imidazol-5-yl)propyl N-(thiophen-2-ylmethyl)carbamate

3-(1H-imidazol-5-yl)propyl N-(thiophen-2-ylmethyl)carbamate (PubChem CID 10515825) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)propyl N-(thiophen-2-ylmethyl)carbamate.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)propyl N-(thiophen-2-ylmethyl)carbamate
PubChem CID10515825
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name3-(1H-imidazol-5-yl)propyl N-(thiophen-2-ylmethyl)carbamate
SMILESO=C(NCc1cccs1)OCCCc1cnc[nH]1
InChIInChI=1S/C12H15N3O2S/c16-12(14-8-11-4-2-6-18-11)17-5-1-3-10-7-13-9-15-10/h2,4,6-7,9H,1,3,5,8H2,(H,13,15)(H,14,16)
InChIKeyVDIHTJOZRXHYEC-UHFFFAOYSA-N
XLogP2.33
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)propyl N-(thiophen-2-ylmethyl)carbamate?
The IUPAC name of 3-(1H-imidazol-5-yl)propyl N-(thiophen-2-ylmethyl)carbamate (CID 10515825) is 3-(1H-imidazol-5-yl)propyl N-(thiophen-2-ylmethyl)carbamate.
What is the SMILES notation for 3-(1H-imidazol-5-yl)propyl N-(thiophen-2-ylmethyl)carbamate?
The canonical SMILES for 3-(1H-imidazol-5-yl)propyl N-(thiophen-2-ylmethyl)carbamate is O=C(NCc1cccs1)OCCCc1cnc[nH]1.
What is the InChIKey of 3-(1H-imidazol-5-yl)propyl N-(thiophen-2-ylmethyl)carbamate?
The InChIKey is VDIHTJOZRXHYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c16-12(14-8-11-4-2-6-18-11)17-5-1-3-10-7-13-9-15-10/h2,4,6-7,9H,1,3,5,8H2,(H,13,15)(H,14,16).
What are the key properties of 3-(1H-imidazol-5-yl)propyl N-(thiophen-2-ylmethyl)carbamate?
3-(1H-imidazol-5-yl)propyl N-(thiophen-2-ylmethyl)carbamate has a molecular weight of 265.34 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)propyl N-(thiophen-2-ylmethyl)carbamate is sourced from PubChem (CID 10515825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).