2-cyclopropyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazole-4-carboxamide

C12H14N4OS — CID 75382406

IUPAC2-cyclopropyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazole-4-carboxamide
SMILESCc1csc(Cn2cc(C(N)=O)nc2C2CC2)n1
InChIInChI=1S/C12H14N4OS/c1-7-6-18-10(14-7)5-16-4-9(11(13)17)15-12(16)8-2-3-8/h4,6,8H,2-3,5H2,1H3,(H2,13,17)
InChIKeyYFVBBONZSGUQTG-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.67
Rot. Bonds4

About 2-cyclopropyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazole-4-carboxamide

2-cyclopropyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazole-4-carboxamide (PubChem CID 75382406) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 2-cyclopropyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazole-4-carboxamide
PubChem CID75382406
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name2-cyclopropyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazole-4-carboxamide
SMILESCc1csc(Cn2cc(C(N)=O)nc2C2CC2)n1
InChIInChI=1S/C12H14N4OS/c1-7-6-18-10(14-7)5-16-4-9(11(13)17)15-12(16)8-2-3-8/h4,6,8H,2-3,5H2,1H3,(H2,13,17)
InChIKeyYFVBBONZSGUQTG-UHFFFAOYSA-N
XLogP1.67
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazole-4-carboxamide?
The IUPAC name of 2-cyclopropyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazole-4-carboxamide (CID 75382406) is 2-cyclopropyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazole-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazole-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazole-4-carboxamide is Cc1csc(Cn2cc(C(N)=O)nc2C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazole-4-carboxamide?
The InChIKey is YFVBBONZSGUQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-7-6-18-10(14-7)5-16-4-9(11(13)17)15-12(16)8-2-3-8/h4,6,8H,2-3,5H2,1H3,(H2,13,17).
What are the key properties of 2-cyclopropyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazole-4-carboxamide?
2-cyclopropyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazole-4-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 75382406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).