1-prop-2-enyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazole-2-carboxamide

C12H14N4OS — CID 100743493

IUPAC1-prop-2-enyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazole-2-carboxamide
SMILESC=CCn1ccnc1C(=O)NCCc1cscn1
InChIInChI=1S/C12H14N4OS/c1-2-6-16-7-5-13-11(16)12(17)14-4-3-10-8-18-9-15-10/h2,5,7-9H,1,3-4,6H2,(H,14,17)
InChIKeyNNTJNLTYYYUXIF-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.50
Rot. Bonds6

About 1-prop-2-enyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazole-2-carboxamide

1-prop-2-enyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazole-2-carboxamide (PubChem CID 100743493) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 1-prop-2-enyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazole-2-carboxamide.

Molecular Properties

Compound Name1-prop-2-enyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazole-2-carboxamide
PubChem CID100743493
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name1-prop-2-enyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazole-2-carboxamide
SMILESC=CCn1ccnc1C(=O)NCCc1cscn1
InChIInChI=1S/C12H14N4OS/c1-2-6-16-7-5-13-11(16)12(17)14-4-3-10-8-18-9-15-10/h2,5,7-9H,1,3-4,6H2,(H,14,17)
InChIKeyNNTJNLTYYYUXIF-UHFFFAOYSA-N
XLogP1.50
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazole-2-carboxamide?
The IUPAC name of 1-prop-2-enyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazole-2-carboxamide (CID 100743493) is 1-prop-2-enyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazole-2-carboxamide.
What is the SMILES notation for 1-prop-2-enyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazole-2-carboxamide?
The canonical SMILES for 1-prop-2-enyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazole-2-carboxamide is C=CCn1ccnc1C(=O)NCCc1cscn1.
What is the InChIKey of 1-prop-2-enyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazole-2-carboxamide?
The InChIKey is NNTJNLTYYYUXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-2-6-16-7-5-13-11(16)12(17)14-4-3-10-8-18-9-15-10/h2,5,7-9H,1,3-4,6H2,(H,14,17).
What are the key properties of 1-prop-2-enyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazole-2-carboxamide?
1-prop-2-enyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazole-2-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazole-2-carboxamide is sourced from PubChem (CID 100743493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).