2-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-3-ylmethyl)benzamide

C17H20FN3OS — CID 128993498

IUPAC2-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-3-ylmethyl)benzamide
SMILESCc1ncsc1CN(CC1CCNC1)C(=O)c1ccccc1F
InChIInChI=1S/C17H20FN3OS/c1-12-16(23-11-20-12)10-21(9-13-6-7-19-8-13)17(22)14-4-2-3-5-15(14)18/h2-5,11,13,19H,6-10H2,1H3
InChIKeyJAVQPWBMFDGGAJ-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.84
Rot. Bonds5

About 2-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-3-ylmethyl)benzamide

2-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-3-ylmethyl)benzamide (PubChem CID 128993498) has the molecular formula C17H20FN3OS and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-3-ylmethyl)benzamide
PubChem CID128993498
Molecular FormulaC17H20FN3OS
Molecular Weight333.43 g/mol
Exact Mass333.13
IUPAC Name2-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-3-ylmethyl)benzamide
SMILESCc1ncsc1CN(CC1CCNC1)C(=O)c1ccccc1F
InChIInChI=1S/C17H20FN3OS/c1-12-16(23-11-20-12)10-21(9-13-6-7-19-8-13)17(22)14-4-2-3-5-15(14)18/h2-5,11,13,19H,6-10H2,1H3
InChIKeyJAVQPWBMFDGGAJ-UHFFFAOYSA-N
XLogP2.84
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3S)-pyrrolidin-3-yl]methyl]benzamide
CID 129335678
6-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-N-[[(3S)-pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide
CID 129344134
5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]furan-2-carboxamide
CID 129342747
5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3S)-pyrrolidin-3-yl]methyl]furan-2-carboxamide
CID 129342748
3-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide
CID 129337972
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-oxo-1-pyridinyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide
CID 129344186
1-ethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
CID 129342980
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 95364029
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide
CID 129336128
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenyl-N-(pyrrolidin-3-ylmethyl)propan-1-amine
CID 128999065
2-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide
CID 106628436
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 129339515

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-3-ylmethyl)benzamide?
The IUPAC name of 2-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-3-ylmethyl)benzamide (CID 128993498) is 2-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-3-ylmethyl)benzamide?
The canonical SMILES for 2-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-3-ylmethyl)benzamide is Cc1ncsc1CN(CC1CCNC1)C(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-3-ylmethyl)benzamide?
The InChIKey is JAVQPWBMFDGGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3OS/c1-12-16(23-11-20-12)10-21(9-13-6-7-19-8-13)17(22)14-4-2-3-5-15(14)18/h2-5,11,13,19H,6-10H2,1H3.
What are the key properties of 2-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-3-ylmethyl)benzamide?
2-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-3-ylmethyl)benzamide has a molecular weight of 333.43 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-3-ylmethyl)benzamide is sourced from PubChem (CID 128993498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).