N-methyl-1-[[4-[5-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]phenyl]methyl]azetidine-3-carboxamide

C21H19F3N4OS — CID 176999974

IUPACN-methyl-1-[[4-[5-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]phenyl]methyl]azetidine-3-carboxamide
SMILESCNC(=O)C1CN(Cc2ccc(-c3ncc(-c4cc(C(F)(F)F)ccn4)s3)cc2)C1
InChIInChI=1S/C21H19F3N4OS/c1-25-19(29)15-11-28(12-15)10-13-2-4-14(5-3-13)20-27-9-18(30-20)17-8-16(6-7-26-17)21(22,23)24/h2-9,15H,10-12H2,1H3,(H,25,29)
InChIKeyZBFKGZGBFWLABK-UHFFFAOYSA-N
MW432.47 g/mol
LogP4.07
Rot. Bonds5

About N-methyl-1-[[4-[5-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]phenyl]methyl]azetidine-3-carboxamide

N-methyl-1-[[4-[5-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]phenyl]methyl]azetidine-3-carboxamide (PubChem CID 176999974) has the molecular formula C21H19F3N4OS and a molecular weight of 432.47 g/mol. Its IUPAC name is N-methyl-1-[[4-[5-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]phenyl]methyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[[4-[5-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]phenyl]methyl]azetidine-3-carboxamide
PubChem CID176999974
Molecular FormulaC21H19F3N4OS
Molecular Weight432.47 g/mol
Exact Mass432.12
IUPAC NameN-methyl-1-[[4-[5-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]phenyl]methyl]azetidine-3-carboxamide
SMILESCNC(=O)C1CN(Cc2ccc(-c3ncc(-c4cc(C(F)(F)F)ccn4)s3)cc2)C1
InChIInChI=1S/C21H19F3N4OS/c1-25-19(29)15-11-28(12-15)10-13-2-4-14(5-3-13)20-27-9-18(30-20)17-8-16(6-7-26-17)21(22,23)24/h2-9,15H,10-12H2,1H3,(H,25,29)
InChIKeyZBFKGZGBFWLABK-UHFFFAOYSA-N
XLogP4.07
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-1-[[4-[5-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]phenyl]methyl]azetidine-3-carboxamide with MolForge

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Related Compounds

1-[[4-[5-(3-cyano-4-propan-2-ylsulfanylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176999932
N-methyl-1-[[3-methyl-4-[[4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]azetidine-3-carboxamide
CID 176930885
1-[[4-[5-(3-fluoro-4-propan-2-ylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]azetidine-3-carboxylic acid
CID 151381456
methanesulfonic acid;1-[[4-[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]azetidine-3-carboxylic acid
CID 174740149
(6S)-N,1-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-6-carboxamide
CID 124976732
N-methyl-1-[[5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazin-2-yl]methyl]azetidine-3-carboxamide
CID 176930423
(6R)-N,1-dimethyl-4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-6-carboxamide
CID 125012077
1-[[4-[[4-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176929943
(3S)-N-methyl-1-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]pyrrolidine-3-carboxamide
CID 176929976
1-[(4-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide
CID 176930266
1-[(4-butoxyphenyl)methyl]-N-methylazetidine-3-carboxamide;ethene
CID 176930441
1-[[4-(4-amino-2-pyridinyl)phenyl]methyl]azetidine-3-carboxylic acid
CID 70865540

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[[4-[5-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]phenyl]methyl]azetidine-3-carboxamide?
The IUPAC name of N-methyl-1-[[4-[5-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]phenyl]methyl]azetidine-3-carboxamide (CID 176999974) is N-methyl-1-[[4-[5-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]phenyl]methyl]azetidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-[[4-[5-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]phenyl]methyl]azetidine-3-carboxamide?
The canonical SMILES for N-methyl-1-[[4-[5-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]phenyl]methyl]azetidine-3-carboxamide is CNC(=O)C1CN(Cc2ccc(-c3ncc(-c4cc(C(F)(F)F)ccn4)s3)cc2)C1.
What is the InChIKey of N-methyl-1-[[4-[5-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]phenyl]methyl]azetidine-3-carboxamide?
The InChIKey is ZBFKGZGBFWLABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4OS/c1-25-19(29)15-11-28(12-15)10-13-2-4-14(5-3-13)20-27-9-18(30-20)17-8-16(6-7-26-17)21(22,23)24/h2-9,15H,10-12H2,1H3,(H,25,29).
What are the key properties of N-methyl-1-[[4-[5-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]phenyl]methyl]azetidine-3-carboxamide?
N-methyl-1-[[4-[5-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]phenyl]methyl]azetidine-3-carboxamide has a molecular weight of 432.47 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[[4-[5-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]phenyl]methyl]azetidine-3-carboxamide is sourced from PubChem (CID 176999974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).