5-(3-chloro-5-fluoroanilino)-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide

C17H14ClFN4OS — CID 91258597

IUPAC5-(3-chloro-5-fluoroanilino)-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(NC(=O)c2nc(C)sc2Nc2cc(F)cc(Cl)c2)ccn1
InChIInChI=1S/C17H14ClFN4OS/c1-9-5-13(3-4-20-9)22-16(24)15-17(25-10(2)21-15)23-14-7-11(18)6-12(19)8-14/h3-8,23H,1-2H3,(H,20,22,24)
InChIKeyLUCIBADZGWIQMC-UHFFFAOYSA-N
MW376.84 g/mol
LogP4.94
Rot. Bonds4

About 5-(3-chloro-5-fluoroanilino)-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide

5-(3-chloro-5-fluoroanilino)-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 91258597) has the molecular formula C17H14ClFN4OS and a molecular weight of 376.84 g/mol. Its IUPAC name is 5-(3-chloro-5-fluoroanilino)-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-5-fluoroanilino)-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID91258597
Molecular FormulaC17H14ClFN4OS
Molecular Weight376.84 g/mol
Exact Mass376.06
IUPAC Name5-(3-chloro-5-fluoroanilino)-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(NC(=O)c2nc(C)sc2Nc2cc(F)cc(Cl)c2)ccn1
InChIInChI=1S/C17H14ClFN4OS/c1-9-5-13(3-4-20-9)22-16(24)15-17(25-10(2)21-15)23-14-7-11(18)6-12(19)8-14/h3-8,23H,1-2H3,(H,20,22,24)
InChIKeyLUCIBADZGWIQMC-UHFFFAOYSA-N
XLogP4.94
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-5-fluoroanilino)-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-(3-chloro-5-fluoroanilino)-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide (CID 91258597) is 5-(3-chloro-5-fluoroanilino)-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-(3-chloro-5-fluoroanilino)-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-(3-chloro-5-fluoroanilino)-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide is Cc1cc(NC(=O)c2nc(C)sc2Nc2cc(F)cc(Cl)c2)ccn1.
What is the InChIKey of 5-(3-chloro-5-fluoroanilino)-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is LUCIBADZGWIQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4OS/c1-9-5-13(3-4-20-9)22-16(24)15-17(25-10(2)21-15)23-14-7-11(18)6-12(19)8-14/h3-8,23H,1-2H3,(H,20,22,24).
What are the key properties of 5-(3-chloro-5-fluoroanilino)-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide?
5-(3-chloro-5-fluoroanilino)-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 376.84 g/mol, XLogP of 4.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-5-fluoroanilino)-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 91258597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).