N-(2-morpholin-4-ylethyl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole-4-carboxamide

C20H21N5O2S — CID 59252431

IUPACN-(2-morpholin-4-ylethyl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1csc(-c2cnc(-c3ccccc3)nc2)n1
InChIInChI=1S/C20H21N5O2S/c26-19(21-6-7-25-8-10-27-11-9-25)17-14-28-20(24-17)16-12-22-18(23-13-16)15-4-2-1-3-5-15/h1-5,12-14H,6-11H2,(H,21,26)
InChIKeySYZZMFFVGXLICO-UHFFFAOYSA-N
MW395.49 g/mol
LogP2.33
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole-4-carboxamide

N-(2-morpholin-4-ylethyl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole-4-carboxamide (PubChem CID 59252431) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole-4-carboxamide
PubChem CID59252431
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC NameN-(2-morpholin-4-ylethyl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1csc(-c2cnc(-c3ccccc3)nc2)n1
InChIInChI=1S/C20H21N5O2S/c26-19(21-6-7-25-8-10-27-11-9-25)17-14-28-20(24-17)16-12-22-18(23-13-16)15-4-2-1-3-5-15/h1-5,12-14H,6-11H2,(H,21,26)
InChIKeySYZZMFFVGXLICO-UHFFFAOYSA-N
XLogP2.33
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Thiazovivin
CID 46209426
4-[4-Methyl-2-(methylamino)-1,3-thiazol-5-yl]-2-{[3-(morpholin-4-ylcarbonyl)phenyl]amino}pyrimidine-5-carbonitrile
CID 44253188
4-Methyl-2-phenyl-thiazole-5-carboxylic acid (6-morpholin-4-yl-pyridin-3-yl)-amide
CID 36145850
6-Morpholin-4-yl-2-phenyl-pyrimidine-4-carboxylic acid (2-thiazolo[5,4-b]pyridin-2-yl-phenyl)-amide
CID 58101566
1-(3,3-Diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]urea
CID 58938081
(2S)-3-phenyl-N-(4-pyridin-4-ylpyrimidin-2-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide
CID 67497939
(S)-N-(2-(4-chlorophenyl)-2-morpholinoethyl)-2-(pyrimidin-2-yl)-4-(trifluoromethyl)thiazole-5-carboxamide
CID 129099048
N-[(2R)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 129104114
N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
CID 86295457
1-[(2-propylpyrimidin-5-yl)methyl]-N-(3-thiazol-4-ylphenyl)isonipecotamide
CID 24817517
2-amino-N-[(3-methyl-2-pyridinyl)methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide
CID 46225677
N-(4-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl}-1,3-thiazol-2-yl)pyrimidin-2-amine
CID 49670102

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole-4-carboxamide (CID 59252431) is N-(2-morpholin-4-ylethyl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole-4-carboxamide is O=C(NCCN1CCOCC1)c1csc(-c2cnc(-c3ccccc3)nc2)n1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is SYZZMFFVGXLICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S/c26-19(21-6-7-25-8-10-27-11-9-25)17-14-28-20(24-17)16-12-22-18(23-13-16)15-4-2-1-3-5-15/h1-5,12-14H,6-11H2,(H,21,26).
What are the key properties of N-(2-morpholin-4-ylethyl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole-4-carboxamide?
N-(2-morpholin-4-ylethyl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 395.49 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59252431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).