2-[(3-fluorobenzoyl)amino]-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide

C17H19FN4O2S — CID 46113536

IUPAC2-[(3-fluorobenzoyl)amino]-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
SMILESCN1CCC(NC(=O)c2csc(NC(=O)c3cccc(F)c3)n2)CC1
InChIInChI=1S/C17H19FN4O2S/c1-22-7-5-13(6-8-22)19-16(24)14-10-25-17(20-14)21-15(23)11-3-2-4-12(18)9-11/h2-4,9-10,13H,5-8H2,1H3,(H,19,24)(H,20,21,23)
InChIKeyYNLZBVFVSUKAJR-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.36
Rot. Bonds4

About 2-[(3-fluorobenzoyl)amino]-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide

2-[(3-fluorobenzoyl)amino]-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 46113536) has the molecular formula C17H19FN4O2S and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-[(3-fluorobenzoyl)amino]-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(3-fluorobenzoyl)amino]-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID46113536
Molecular FormulaC17H19FN4O2S
Molecular Weight362.43 g/mol
Exact Mass362.12
IUPAC Name2-[(3-fluorobenzoyl)amino]-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
SMILESCN1CCC(NC(=O)c2csc(NC(=O)c3cccc(F)c3)n2)CC1
InChIInChI=1S/C17H19FN4O2S/c1-22-7-5-13(6-8-22)19-16(24)14-10-25-17(20-14)21-15(23)11-3-2-4-12(18)9-11/h2-4,9-10,13H,5-8H2,1H3,(H,19,24)(H,20,21,23)
InChIKeyYNLZBVFVSUKAJR-UHFFFAOYSA-N
XLogP2.36
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-fluorobenzoyl)amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 46113517
2-[(3-fluorobenzoyl)amino]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 16916129
2-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 110465347
3-fluoro-N-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 39162541
3-fluoro-N-[4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide
CID 46172387
3-fluoro-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 46680184
2-[(3,4-difluorobenzoyl)amino]-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
CID 46113964
2-acetamido-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 47057312
N-cyclopentyl-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 16915218
N-[3-(2-methylpiperidin-1-yl)propyl]-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 46113866
N-(1-methylpiperidin-4-yl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 56783188
2-(1,3-benzodioxole-5-carbonylamino)-N-cyclohexyl-1,3-thiazole-4-carboxamide
CID 46113982

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorobenzoyl)amino]-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(3-fluorobenzoyl)amino]-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide (CID 46113536) is 2-[(3-fluorobenzoyl)amino]-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(3-fluorobenzoyl)amino]-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(3-fluorobenzoyl)amino]-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide is CN1CCC(NC(=O)c2csc(NC(=O)c3cccc(F)c3)n2)CC1.
What is the InChIKey of 2-[(3-fluorobenzoyl)amino]-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is YNLZBVFVSUKAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2S/c1-22-7-5-13(6-8-22)19-16(24)14-10-25-17(20-14)21-15(23)11-3-2-4-12(18)9-11/h2-4,9-10,13H,5-8H2,1H3,(H,19,24)(H,20,21,23).
What are the key properties of 2-[(3-fluorobenzoyl)amino]-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
2-[(3-fluorobenzoyl)amino]-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorobenzoyl)amino]-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46113536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).