4-methyl-N-(oxolan-3-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide

C21H22N4O2S — CID 59662726

IUPAC4-methyl-N-(oxolan-3-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
SMILESCc1ccc(C(=O)NCC2CCOC2)cc1Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C21H22N4O2S/c1-14-4-5-16(20(26)23-10-15-6-8-27-12-15)9-18(14)24-21-25-19(13-28-21)17-3-2-7-22-11-17/h2-5,7,9,11,13,15H,6,8,10,12H2,1H3,(H,23,26)(H,24,25)
InChIKeyVAUYKDJAMZOGNS-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.02
Rot. Bonds6

About 4-methyl-N-(oxolan-3-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide

4-methyl-N-(oxolan-3-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide (PubChem CID 59662726) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is 4-methyl-N-(oxolan-3-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide.

Molecular Properties

Compound Name4-methyl-N-(oxolan-3-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
PubChem CID59662726
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC Name4-methyl-N-(oxolan-3-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
SMILESCc1ccc(C(=O)NCC2CCOC2)cc1Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C21H22N4O2S/c1-14-4-5-16(20(26)23-10-15-6-8-27-12-15)9-18(14)24-21-25-19(13-28-21)17-3-2-7-22-11-17/h2-5,7,9,11,13,15H,6,8,10,12H2,1H3,(H,23,26)(H,24,25)
InChIKeyVAUYKDJAMZOGNS-UHFFFAOYSA-N
XLogP4.02
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
CID 59279401
N-cyclopropyl-3-[[4-[3-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]amino]-4-methylbenzamide
CID 141106921
3-fluoro-4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 59651304
(1S)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-1-(2-morpholin-4-ylethylamino)-2,3-dihydro-1H-indene-5-carboxamide
CID 163768322
4-(hydroxymethyl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 10319726
4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 11385486
4-methyl-N-(1-methylindol-6-yl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
CID 59662707
ethane;4-[(4-ethylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 144702954
N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-propan-2-yloxybenzamide
CID 10478636
1-(4-methylphenyl)-3-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]urea
CID 10432011
1-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(3,4,5-trimethylphenyl)urea
CID 57473566
4-[(dipropylamino)methyl]-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-(morpholin-4-ylmethyl)benzamide
CID 87968495

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(oxolan-3-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide?
The IUPAC name of 4-methyl-N-(oxolan-3-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide (CID 59662726) is 4-methyl-N-(oxolan-3-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide.
What is the SMILES notation for 4-methyl-N-(oxolan-3-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide?
The canonical SMILES for 4-methyl-N-(oxolan-3-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide is Cc1ccc(C(=O)NCC2CCOC2)cc1Nc1nc(-c2cccnc2)cs1.
What is the InChIKey of 4-methyl-N-(oxolan-3-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide?
The InChIKey is VAUYKDJAMZOGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-14-4-5-16(20(26)23-10-15-6-8-27-12-15)9-18(14)24-21-25-19(13-28-21)17-3-2-7-22-11-17/h2-5,7,9,11,13,15H,6,8,10,12H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 4-methyl-N-(oxolan-3-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide?
4-methyl-N-(oxolan-3-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide has a molecular weight of 394.50 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(oxolan-3-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide is sourced from PubChem (CID 59662726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).