ethane;ethyl 2-[(3-methyl-2-pyridinyl)amino]-4-pyridin-2-yl-1,3-thiazole-5-carboxylate

C19H22N4O2S — CID 144727498

IUPACethane;ethyl 2-[(3-methyl-2-pyridinyl)amino]-4-pyridin-2-yl-1,3-thiazole-5-carboxylate
SMILESCC.CCOC(=O)c1sc(Nc2ncccc2C)nc1-c1ccccn1
InChIInChI=1S/C17H16N4O2S.C2H6/c1-3-23-16(22)14-13(12-8-4-5-9-18-12)20-17(24-14)21-15-11(2)7-6-10-19-15;1-2/h4-10H,3H2,1-2H3,(H,19,20,21);1-2H3
InChIKeyQIQQTQMSFQCQJV-UHFFFAOYSA-N
MW370.48 g/mol
LogP4.86
Rot. Bonds5

About ethane;ethyl 2-[(3-methyl-2-pyridinyl)amino]-4-pyridin-2-yl-1,3-thiazole-5-carboxylate

ethane;ethyl 2-[(3-methyl-2-pyridinyl)amino]-4-pyridin-2-yl-1,3-thiazole-5-carboxylate (PubChem CID 144727498) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is ethane;ethyl 2-[(3-methyl-2-pyridinyl)amino]-4-pyridin-2-yl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 2-[(3-methyl-2-pyridinyl)amino]-4-pyridin-2-yl-1,3-thiazole-5-carboxylate
PubChem CID144727498
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Nameethane;ethyl 2-[(3-methyl-2-pyridinyl)amino]-4-pyridin-2-yl-1,3-thiazole-5-carboxylate
SMILESCC.CCOC(=O)c1sc(Nc2ncccc2C)nc1-c1ccccn1
InChIInChI=1S/C17H16N4O2S.C2H6/c1-3-23-16(22)14-13(12-8-4-5-9-18-12)20-17(24-14)21-15-11(2)7-6-10-19-15;1-2/h4-10H,3H2,1-2H3,(H,19,20,21);1-2H3
InChIKeyQIQQTQMSFQCQJV-UHFFFAOYSA-N
XLogP4.86
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 3-methyl-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 79022280
ethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
CID 807772
N-(4-methoxyphenyl)-4-methyl-2-[(3-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide
CID 53200115
ethyl 5-anilino-3-phenyl-4-pyridin-2-ylthiophene-2-carboxylate
CID 132520423
2-(2-ethylbutanoylamino)-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 94970495
ethyl 3-oxo-5-pyridin-2-ylpyrazole-4-carboxylate
CID 70471541
3-phenyl-1-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]propan-1-one;hydrochloride
CID 161286249
diethyl 2-pyridin-2-ylpyridine-3,4-dicarboxylate;ruthenium
CID 174651960
ethyl 4-(1,3-benzothiazol-2-ylamino)-1H-imidazole-5-carboxylate
CID 4979582
ethyl 4-chloro-3-pyridin-2-yl-1H-pyrazole-5-carboxylate
CID 601590
ethyl 2-(cyclohexanecarbonylamino)-4-phenyl-1,3-thiazole-5-carboxylate
CID 3417747
4-[(5-ethoxycarbonyl-4-phenyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 752797

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 2-[(3-methyl-2-pyridinyl)amino]-4-pyridin-2-yl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethane;ethyl 2-[(3-methyl-2-pyridinyl)amino]-4-pyridin-2-yl-1,3-thiazole-5-carboxylate (CID 144727498) is ethane;ethyl 2-[(3-methyl-2-pyridinyl)amino]-4-pyridin-2-yl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethane;ethyl 2-[(3-methyl-2-pyridinyl)amino]-4-pyridin-2-yl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethane;ethyl 2-[(3-methyl-2-pyridinyl)amino]-4-pyridin-2-yl-1,3-thiazole-5-carboxylate is CC.CCOC(=O)c1sc(Nc2ncccc2C)nc1-c1ccccn1.
What is the InChIKey of ethane;ethyl 2-[(3-methyl-2-pyridinyl)amino]-4-pyridin-2-yl-1,3-thiazole-5-carboxylate?
The InChIKey is QIQQTQMSFQCQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S.C2H6/c1-3-23-16(22)14-13(12-8-4-5-9-18-12)20-17(24-14)21-15-11(2)7-6-10-19-15;1-2/h4-10H,3H2,1-2H3,(H,19,20,21);1-2H3.
What are the key properties of ethane;ethyl 2-[(3-methyl-2-pyridinyl)amino]-4-pyridin-2-yl-1,3-thiazole-5-carboxylate?
ethane;ethyl 2-[(3-methyl-2-pyridinyl)amino]-4-pyridin-2-yl-1,3-thiazole-5-carboxylate has a molecular weight of 370.48 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 2-[(3-methyl-2-pyridinyl)amino]-4-pyridin-2-yl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 144727498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).