N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide

C24H22FN5OS — CID 110260377

IUPACN-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide
SMILESCc1nnc2n1CC(c1cccc(C(=O)Nc3ncc(Cc4ccccc4F)s3)c1)CC2
InChIInChI=1S/C24H22FN5OS/c1-15-28-29-22-10-9-19(14-30(15)22)16-6-4-7-18(11-16)23(31)27-24-26-13-20(32-24)12-17-5-2-3-8-21(17)25/h2-8,11,13,19H,9-10,12,14H2,1H3,(H,26,27,31)
InChIKeyAXUMLPSVCDFNLQ-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.76
Rot. Bonds5

About N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide

N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide (PubChem CID 110260377) has the molecular formula C24H22FN5OS and a molecular weight of 447.54 g/mol. Its IUPAC name is N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide.

Molecular Properties

Compound NameN-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide
PubChem CID110260377
Molecular FormulaC24H22FN5OS
Molecular Weight447.54 g/mol
Exact Mass447.15
IUPAC NameN-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide
SMILESCc1nnc2n1CC(c1cccc(C(=O)Nc3ncc(Cc4ccccc4F)s3)c1)CC2
InChIInChI=1S/C24H22FN5OS/c1-15-28-29-22-10-9-19(14-30(15)22)16-6-4-7-18(11-16)23(31)27-24-26-13-20(32-24)12-17-5-2-3-8-21(17)25/h2-8,11,13,19H,9-10,12,14H2,1H3,(H,26,27,31)
InChIKeyAXUMLPSVCDFNLQ-UHFFFAOYSA-N
XLogP4.76
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide with MolForge

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Related Compounds

2-[4-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-6-(1,3-thiazol-5-yl)pyridin-2-yl]-4-(trifluoromethyl)-3H-isoindol-1-one
CID 139350816
4-[[4-fluoro-3-[5-methyl-3-(1,3-thiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-4H-phthalazin-1-one
CID 155295499
6-[[4-fluoro-3-[5-methyl-3-(1,3-thiazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-4-methylidenepyridazin-3-one
CID 155295517
6-[[4-fluoro-3-[5-methyl-3-(1,3-thiazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-5-methyl-4-methylidenepyridazin-3-one
CID 155295518
4-[[4-fluoro-3-[5-methyl-3-(1,3-thiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one
CID 140912465
2-[[4-benzyl-5-[1-(dimethylamino)propyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[5-(4-fluorophenyl)thiazol-2-yl]acetamide
CID 71596289
N-(5-benzyl-1,3-thiazol-2-yl)-4-(5-propan-2-yltetrazol-1-yl)benzamide
CID 172442649
N-(5-benzyl-1,3-thiazol-2-yl)-4-(5-methyltetrazol-1-yl)benzamide
CID 172458780
4-fluoro-N-[4-(4-methyl-5-{[1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]sulfanyl}-4H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 11841968
4-(2-isopropyl-1,3-thiazol-5-yl)-N-[2-(1-methyl-1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 122566130
2,6-Difluoro-n-{5-[3-(2-methyl-2h-tetrazol-5-yl)-phenyl]-thiazol-2-yl}-benzamide
CID 24764832
2,5-dimethyl-N-[1-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide
CID 91274033

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide?
The IUPAC name of N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide (CID 110260377) is N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide.
What is the SMILES notation for N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide?
The canonical SMILES for N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide is Cc1nnc2n1CC(c1cccc(C(=O)Nc3ncc(Cc4ccccc4F)s3)c1)CC2.
What is the InChIKey of N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide?
The InChIKey is AXUMLPSVCDFNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5OS/c1-15-28-29-22-10-9-19(14-30(15)22)16-6-4-7-18(11-16)23(31)27-24-26-13-20(32-24)12-17-5-2-3-8-21(17)25/h2-8,11,13,19H,9-10,12,14H2,1H3,(H,26,27,31).
What are the key properties of N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide?
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide has a molecular weight of 447.54 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide is sourced from PubChem (CID 110260377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).