methyl 1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)-2,3-dihydroindole-5-carboxylate

C18H14N4O3S — CID 55871361

IUPACmethyl 1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)-2,3-dihydroindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCN2C(=O)c1csc(-c2ncccn2)n1
InChIInChI=1S/C18H14N4O3S/c1-25-18(24)12-3-4-14-11(9-12)5-8-22(14)17(23)13-10-26-16(21-13)15-19-6-2-7-20-15/h2-4,6-7,9-10H,5,8H2,1H3
InChIKeyLDCOHZQAESJPNT-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.59
Rot. Bonds3

About methyl 1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)-2,3-dihydroindole-5-carboxylate

methyl 1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)-2,3-dihydroindole-5-carboxylate (PubChem CID 55871361) has the molecular formula C18H14N4O3S and a molecular weight of 366.40 g/mol. Its IUPAC name is methyl 1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)-2,3-dihydroindole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)-2,3-dihydroindole-5-carboxylate
PubChem CID55871361
Molecular FormulaC18H14N4O3S
Molecular Weight366.40 g/mol
Exact Mass366.08
IUPAC Namemethyl 1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)-2,3-dihydroindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCN2C(=O)c1csc(-c2ncccn2)n1
InChIInChI=1S/C18H14N4O3S/c1-25-18(24)12-3-4-14-11(9-12)5-8-22(14)17(23)13-10-26-16(21-13)15-19-6-2-7-20-15/h2-4,6-7,9-10H,5,8H2,1H3
InChIKeyLDCOHZQAESJPNT-UHFFFAOYSA-N
XLogP2.59
TPSA85.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)-2,3-dihydroindole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-benzoyl-2,3-dihydroindole-5-carboxylate
CID 10660450
methyl 1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]-2,3-dihydroindole-5-carboxylate
CID 55686184
(5-amino-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 65199933
methyl 1-(2-methylpropanoyl)-2,3-dihydroindole-5-carboxylate
CID 86917334
methyl 1-[2-(difluoromethoxy)benzoyl]-2,3-dihydroindole-5-carboxylate
CID 51338171
methyl 1-(3,3-dimethylbutanoyl)-2,3-dihydroindole-5-carboxylate
CID 86917336
methyl 3-[[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]amino]benzoate
CID 109219554
1-(2-methyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 65199902
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone
CID 99716081
methyl 1-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylate
CID 55941427
methyl 1-(2-phenyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate
CID 94615225
(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 55915411

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)-2,3-dihydroindole-5-carboxylate?
The IUPAC name of methyl 1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)-2,3-dihydroindole-5-carboxylate (CID 55871361) is methyl 1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)-2,3-dihydroindole-5-carboxylate.
What is the SMILES notation for methyl 1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)-2,3-dihydroindole-5-carboxylate?
The canonical SMILES for methyl 1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)-2,3-dihydroindole-5-carboxylate is COC(=O)c1ccc2c(c1)CCN2C(=O)c1csc(-c2ncccn2)n1.
What is the InChIKey of methyl 1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)-2,3-dihydroindole-5-carboxylate?
The InChIKey is LDCOHZQAESJPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3S/c1-25-18(24)12-3-4-14-11(9-12)5-8-22(14)17(23)13-10-26-16(21-13)15-19-6-2-7-20-15/h2-4,6-7,9-10H,5,8H2,1H3.
What are the key properties of methyl 1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)-2,3-dihydroindole-5-carboxylate?
methyl 1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)-2,3-dihydroindole-5-carboxylate has a molecular weight of 366.40 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)-2,3-dihydroindole-5-carboxylate is sourced from PubChem (CID 55871361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).