N-[3-(ethylamino)-2,2-diphenylpropyl]-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide

C32H31FN6OS2 — CID 24958112

IUPACN-[3-(ethylamino)-2,2-diphenylpropyl]-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide
SMILESCCNCC(CNC(=O)c1nccc(Sc2cnc(Nc3cc(C)ccn3)s2)c1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H31FN6OS2/c1-3-34-20-32(23-10-6-4-7-11-23,24-12-8-5-9-13-24)21-38-30(40)29-28(33)25(15-17-36-29)41-27-19-37-31(42-27)39-26-18-22(2)14-16-35-26/h4-19,34H,3,20-21H2,1-2H3,(H,38,40)(H,35,37,39)
InChIKeyAWLZNWKEZVWUBA-UHFFFAOYSA-N
MW598.77 g/mol
LogP6.60
Rot. Bonds12

About N-[3-(ethylamino)-2,2-diphenylpropyl]-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide

N-[3-(ethylamino)-2,2-diphenylpropyl]-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide (PubChem CID 24958112) has the molecular formula C32H31FN6OS2 and a molecular weight of 598.77 g/mol. Its IUPAC name is N-[3-(ethylamino)-2,2-diphenylpropyl]-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(ethylamino)-2,2-diphenylpropyl]-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide
PubChem CID24958112
Molecular FormulaC32H31FN6OS2
Molecular Weight598.77 g/mol
Exact Mass598.20
IUPAC NameN-[3-(ethylamino)-2,2-diphenylpropyl]-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide
SMILESCCNCC(CNC(=O)c1nccc(Sc2cnc(Nc3cc(C)ccn3)s2)c1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H31FN6OS2/c1-3-34-20-32(23-10-6-4-7-11-23,24-12-8-5-9-13-24)21-38-30(40)29-28(33)25(15-17-36-29)41-27-19-37-31(42-27)39-26-18-22(2)14-16-35-26/h4-19,34H,3,20-21H2,1-2H3,(H,38,40)(H,35,37,39)
InChIKeyAWLZNWKEZVWUBA-UHFFFAOYSA-N
XLogP6.60
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.77
LogP ≤ 56.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[3-(ethylamino)-2,2-diphenylpropyl]-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-(4-(3-(2-(Pyridin-2-ylamino)thiazol-5-ylthio)benzoyl)piperazin-1-yl)ethanone
CID 10181704
4-fluoro-3-((2-(pyridin-2-ylamino)thiazol-5-ylmethyl)amino)-N-(pyridin-2-ylmethyl)benzamide
CID 11662019
N-[4-(2-Ethyl-4-o-tolyl-thiazol-5-yl)-pyridin-2-yl]-benzamide
CID 11675697
N-benzyl-4-fluoro-3-((2-(pyridin-2-ylamino)thiazol-5-ylmethyl)amino)benzamide
CID 11711734
N-(2-aminoethyl)-3-[2-[[4-(4,4-difluoropiperidin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]benzamide
CID 15980106
N-{4-[2-Ethyl-4-(4-fluoro-phenyl)-thiazol-5-yl]-pyridin-2-yl}-benzamide
CID 11502288
N-[4-(2-Ethyl-4-phenyl-thiazol-5-yl)-pyridin-2-yl]-benzamide
CID 11531118
(2-Methyl-5-(2-(pyridin-2-ylamino)thiazol-5-ylthio)phenyl)(piperazin-1-yl)methanone
CID 44446934
[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[(2S,6S)-2-methyl-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 70681620
[(2S)-5-fluoro-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
CID 70685892
(2-Methyl-4-phenyl-1,3-thiazol-5-yl)-[2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 70696349
N-[2-[[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzylpyridine-4-carboxamide
CID 71681728

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylamino)-2,2-diphenylpropyl]-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-(ethylamino)-2,2-diphenylpropyl]-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide (CID 24958112) is N-[3-(ethylamino)-2,2-diphenylpropyl]-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(ethylamino)-2,2-diphenylpropyl]-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-(ethylamino)-2,2-diphenylpropyl]-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide is CCNCC(CNC(=O)c1nccc(Sc2cnc(Nc3cc(C)ccn3)s2)c1F)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[3-(ethylamino)-2,2-diphenylpropyl]-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide?
The InChIKey is AWLZNWKEZVWUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31FN6OS2/c1-3-34-20-32(23-10-6-4-7-11-23,24-12-8-5-9-13-24)21-38-30(40)29-28(33)25(15-17-36-29)41-27-19-37-31(42-27)39-26-18-22(2)14-16-35-26/h4-19,34H,3,20-21H2,1-2H3,(H,38,40)(H,35,37,39).
What are the key properties of N-[3-(ethylamino)-2,2-diphenylpropyl]-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide?
N-[3-(ethylamino)-2,2-diphenylpropyl]-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide has a molecular weight of 598.77 g/mol, XLogP of 6.60, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylamino)-2,2-diphenylpropyl]-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide is sourced from PubChem (CID 24958112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).