N-(2-ethylphenyl)-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

C21H22N4O2S — CID 53145800

IUPACN-(2-ethylphenyl)-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1csc(-c2ccc(N3CCOCC3)nc2)n1
InChIInChI=1S/C21H22N4O2S/c1-2-15-5-3-4-6-17(15)23-20(26)18-14-28-21(24-18)16-7-8-19(22-13-16)25-9-11-27-12-10-25/h3-8,13-14H,2,9-12H2,1H3,(H,23,26)
InChIKeyDUEFACIVCAVEOH-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.86
Rot. Bonds5

About N-(2-ethylphenyl)-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

N-(2-ethylphenyl)-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 53145800) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID53145800
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC NameN-(2-ethylphenyl)-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1csc(-c2ccc(N3CCOCC3)nc2)n1
InChIInChI=1S/C21H22N4O2S/c1-2-15-5-3-4-6-17(15)23-20(26)18-14-28-21(24-18)16-7-8-19(22-13-16)25-9-11-27-12-10-25/h3-8,13-14H,2,9-12H2,1H3,(H,23,26)
InChIKeyDUEFACIVCAVEOH-UHFFFAOYSA-N
XLogP3.86
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethylphenyl)-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145815
morpholin-4-yl-[2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazol-4-yl]methanone
CID 53145852
N-[(3,5-difluorophenyl)methyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145839
N-(2,4-dimethylphenyl)-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53119227
2-(6-morpholin-4-yl-3-pyridinyl)-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 53145860
N-[(2-chlorophenyl)methyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53119200
2-(6-morpholin-4-yl-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 117087877
N-(4-chloro-2-methylphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145637
2-(2-morpholin-4-yl-4-pyridinyl)-N-[(2R)-4-phenylbutan-2-yl]-1,3-thiazole-4-carboxamide
CID 95089020
N-butyl-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53119268
N-(4-methoxyphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145632
2-(4-morpholin-4-ylphenyl)-1,3-thiazole-4-carbohydrazide
CID 67450045

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 53145800) is N-(2-ethylphenyl)-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is CCc1ccccc1NC(=O)c1csc(-c2ccc(N3CCOCC3)nc2)n1.
What is the InChIKey of N-(2-ethylphenyl)-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is DUEFACIVCAVEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-2-15-5-3-4-6-17(15)23-20(26)18-14-28-21(24-18)16-7-8-19(22-13-16)25-9-11-27-12-10-25/h3-8,13-14H,2,9-12H2,1H3,(H,23,26).
What are the key properties of N-(2-ethylphenyl)-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
N-(2-ethylphenyl)-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53145800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).