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

C18H21FN4O2S — CID 46113517

IUPAC2-[(3-fluorobenzoyl)amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCN1CCCC1CCNC(=O)c1csc(NC(=O)c2cccc(F)c2)n1
InChIInChI=1S/C18H21FN4O2S/c1-23-9-3-6-14(23)7-8-20-17(25)15-11-26-18(21-15)22-16(24)12-4-2-5-13(19)10-12/h2,4-5,10-11,14H,3,6-9H2,1H3,(H,20,25)(H,21,22,24)
InChIKeyJOIFCIBLSSGLMA-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.75
Rot. Bonds6

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

2-[(3-fluorobenzoyl)amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 46113517) has the molecular formula C18H21FN4O2S and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[(3-fluorobenzoyl)amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(3-fluorobenzoyl)amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID46113517
Molecular FormulaC18H21FN4O2S
Molecular Weight376.46 g/mol
Exact Mass376.14
IUPAC Name2-[(3-fluorobenzoyl)amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCN1CCCC1CCNC(=O)c1csc(NC(=O)c2cccc(F)c2)n1
InChIInChI=1S/C18H21FN4O2S/c1-23-9-3-6-14(23)7-8-20-17(25)15-11-26-18(21-15)22-16(24)12-4-2-5-13(19)10-12/h2,4-5,10-11,14H,3,6-9H2,1H3,(H,20,25)(H,21,22,24)
InChIKeyJOIFCIBLSSGLMA-UHFFFAOYSA-N
XLogP2.75
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 110867653
2-[(3-fluorobenzoyl)amino]-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 46113536
2-[(3-fluorobenzoyl)amino]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 16916129
3-fluoro-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 46680184
2-[(3,4-difluorobenzoyl)amino]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 46113945
N-[3-(2-methylpiperidin-1-yl)propyl]-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 46113866
3-fluoro-N-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 39162541
N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 70840667
3-fluoro-N-[4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide
CID 46172387
2-[(3,4-dichlorobenzoyl)amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide
CID 46113767
2-[(3-chlorobenzoyl)amino]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 46113565
2-[(3,4-dichlorobenzoyl)amino]-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 46113825

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorobenzoyl)amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(3-fluorobenzoyl)amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-4-carboxamide (CID 46113517) is 2-[(3-fluorobenzoyl)amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(3-fluorobenzoyl)amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(3-fluorobenzoyl)amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-4-carboxamide is CN1CCCC1CCNC(=O)c1csc(NC(=O)c2cccc(F)c2)n1.
What is the InChIKey of 2-[(3-fluorobenzoyl)amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is JOIFCIBLSSGLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2S/c1-23-9-3-6-14(23)7-8-20-17(25)15-11-26-18(21-15)22-16(24)12-4-2-5-13(19)10-12/h2,4-5,10-11,14H,3,6-9H2,1H3,(H,20,25)(H,21,22,24).
What are the key properties of 2-[(3-fluorobenzoyl)amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-4-carboxamide?
2-[(3-fluorobenzoyl)amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.75, 6 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-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46113517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).