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

C32H31FN6OS2 — CID 24957733

IUPACN-[3-(dimethylamino)-2,2-diphenylpropyl]-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide
SMILESCc1ccnc(Nc2ncc(Sc3ccnc(C(=O)NCC(CN(C)C)(c4ccccc4)c4ccccc4)c3F)s2)c1
InChIInChI=1S/C32H31FN6OS2/c1-22-14-16-34-26(18-22)38-31-36-19-27(42-31)41-25-15-17-35-29(28(25)33)30(40)37-20-32(21-39(2)3,23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-19H,20-21H2,1-3H3,(H,37,40)(H,34,36,38)
InChIKeyGVMUXZIAKRZBPM-UHFFFAOYSA-N
MW598.77 g/mol
LogP6.55
Rot. Bonds11

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

N-[3-(dimethylamino)-2,2-diphenylpropyl]-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide (PubChem CID 24957733) has the molecular formula C32H31FN6OS2 and a molecular weight of 598.77 g/mol. Its IUPAC name is N-[3-(dimethylamino)-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-(dimethylamino)-2,2-diphenylpropyl]-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide
PubChem CID24957733
Molecular FormulaC32H31FN6OS2
Molecular Weight598.77 g/mol
Exact Mass598.20
IUPAC NameN-[3-(dimethylamino)-2,2-diphenylpropyl]-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide
SMILESCc1ccnc(Nc2ncc(Sc3ccnc(C(=O)NCC(CN(C)C)(c4ccccc4)c4ccccc4)c3F)s2)c1
InChIInChI=1S/C32H31FN6OS2/c1-22-14-16-34-26(18-22)38-31-36-19-27(42-31)41-25-15-17-35-29(28(25)33)30(40)37-20-32(21-39(2)3,23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-19H,20-21H2,1-3H3,(H,37,40)(H,34,36,38)
InChIKeyGVMUXZIAKRZBPM-UHFFFAOYSA-N
XLogP6.55
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.77
LogP ≤ 56.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3-(dimethylamino)-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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Related Compounds

1-(4-(3-(2-(Pyridin-2-ylamino)thiazol-5-ylthio)benzoyl)piperazin-1-yl)ethanone
CID 10181704
1-(4-(2-Methyl-5-(2-(pyridin-2-ylamino)thiazol-5-ylthio)benzoyl)piperazin-1-yl)ethanone
CID 10226065
4-fluoro-3-((2-(pyridin-2-ylamino)thiazol-5-ylmethyl)amino)-N-(pyridin-2-ylmethyl)benzamide
CID 11662019
N-(2-aminoethyl)-3-[2-[[4-(4,4-difluoropiperidin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]benzamide
CID 15980106
N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 56599751
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
6-[[4-(1-amino-2-phenylethyl)-1,3-thiazol-2-yl]amino]-N-benzyl-N-methylpyridine-3-carboxamide
CID 49789390
[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

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-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-(dimethylamino)-2,2-diphenylpropyl]-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide (CID 24957733) is N-[3-(dimethylamino)-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-(dimethylamino)-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-(dimethylamino)-2,2-diphenylpropyl]-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide is Cc1ccnc(Nc2ncc(Sc3ccnc(C(=O)NCC(CN(C)C)(c4ccccc4)c4ccccc4)c3F)s2)c1.
What is the InChIKey of N-[3-(dimethylamino)-2,2-diphenylpropyl]-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide?
The InChIKey is GVMUXZIAKRZBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31FN6OS2/c1-22-14-16-34-26(18-22)38-31-36-19-27(42-31)41-25-15-17-35-29(28(25)33)30(40)37-20-32(21-39(2)3,23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-19H,20-21H2,1-3H3,(H,37,40)(H,34,36,38).
What are the key properties of N-[3-(dimethylamino)-2,2-diphenylpropyl]-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide?
N-[3-(dimethylamino)-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 6.55, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-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 24957733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).