(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methanone

C20H20N4O2S — CID 90509931

IUPAC(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methanone
SMILESCOc1ccc2c(c1)CCN(C(=O)c1csc(Nc3cccc(C)n3)n1)C2
InChIInChI=1S/C20H20N4O2S/c1-13-4-3-5-18(21-13)23-20-22-17(12-27-20)19(25)24-9-8-14-10-16(26-2)7-6-15(14)11-24/h3-7,10,12H,8-9,11H2,1-2H3,(H,21,22,23)
InChIKeyNZQDKVJCKXZFTO-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.80
Rot. Bonds4

About (6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methanone

(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methanone (PubChem CID 90509931) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is (6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methanone
PubChem CID90509931
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methanone
SMILESCOc1ccc2c(c1)CCN(C(=O)c1csc(Nc3cccc(C)n3)n1)C2
InChIInChI=1S/C20H20N4O2S/c1-13-4-3-5-18(21-13)23-20-22-17(12-27-20)19(25)24-9-8-14-10-16(26-2)7-6-15(14)11-24/h3-7,10,12H,8-9,11H2,1-2H3,(H,21,22,23)
InChIKeyNZQDKVJCKXZFTO-UHFFFAOYSA-N
XLogP3.80
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]methanone
CID 90510150
[4-(3-methoxyphenyl)piperazin-1-yl]-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methanone
CID 90510093
(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methanone
CID 166192968
3,4-dihydro-1H-isoquinolin-2-yl-[2-(3,4-dimethylanilino)-1,3-thiazol-4-yl]methanone
CID 4676910
ethyl 1-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate
CID 90509948
[4-(4-fluorophenyl)piperazin-1-yl]-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methanone
CID 90509959
[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
CID 166218925
2-benzyl-6-(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridazin-3-one
CID 121067048
(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methylphenyl)methanone
CID 110726069
(3,5-dimethoxyphenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110726076
ethyl 2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxylate
CID 52903989
6-methoxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 46983234

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methanone?
The IUPAC name of (6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methanone (CID 90509931) is (6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for (6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methanone?
The canonical SMILES for (6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methanone is COc1ccc2c(c1)CCN(C(=O)c1csc(Nc3cccc(C)n3)n1)C2.
What is the InChIKey of (6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methanone?
The InChIKey is NZQDKVJCKXZFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-13-4-3-5-18(21-13)23-20-22-17(12-27-20)19(25)24-9-8-14-10-16(26-2)7-6-15(14)11-24/h3-7,10,12H,8-9,11H2,1-2H3,(H,21,22,23).
What are the key properties of (6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methanone?
(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methanone has a molecular weight of 380.47 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 90509931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).