2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-methylimidazole-4-carboxamide

C11H8ClF3N4OS — CID 1483349

IUPAC2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-methylimidazole-4-carboxamide
SMILESCn1c(C(N)=O)cnc1Sc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H8ClF3N4OS/c1-19-7(8(16)20)4-18-10(19)21-9-6(12)2-5(3-17-9)11(13,14)15/h2-4H,1H3,(H2,16,20)
InChIKeyRXRAAIWYZNIJRI-UHFFFAOYSA-N
MW336.73 g/mol
LogP2.74
Rot. Bonds3

About 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-methylimidazole-4-carboxamide

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-methylimidazole-4-carboxamide (PubChem CID 1483349) has the molecular formula C11H8ClF3N4OS and a molecular weight of 336.73 g/mol. Its IUPAC name is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-methylimidazole-4-carboxamide
PubChem CID1483349
Molecular FormulaC11H8ClF3N4OS
Molecular Weight336.73 g/mol
Exact Mass336.01
IUPAC Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-methylimidazole-4-carboxamide
SMILESCn1c(C(N)=O)cnc1Sc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H8ClF3N4OS/c1-19-7(8(16)20)4-18-10(19)21-9-6(12)2-5(3-17-9)11(13,14)15/h2-4H,1H3,(H2,16,20)
InChIKeyRXRAAIWYZNIJRI-UHFFFAOYSA-N
XLogP2.74
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.73
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-methylimidazole-4-carboxamide?
The IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-methylimidazole-4-carboxamide (CID 1483349) is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-methylimidazole-4-carboxamide.
What is the SMILES notation for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-methylimidazole-4-carboxamide?
The canonical SMILES for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-methylimidazole-4-carboxamide is Cn1c(C(N)=O)cnc1Sc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-methylimidazole-4-carboxamide?
The InChIKey is RXRAAIWYZNIJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N4OS/c1-19-7(8(16)20)4-18-10(19)21-9-6(12)2-5(3-17-9)11(13,14)15/h2-4H,1H3,(H2,16,20).
What are the key properties of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-methylimidazole-4-carboxamide?
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-methylimidazole-4-carboxamide has a molecular weight of 336.73 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 1483349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).