7-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

C14H16N4O2S — CID 56819733

IUPAC7-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCOc1ccc2c(c1)CN(C(=O)Nc1nnc(C)s1)CC2
InChIInChI=1S/C14H16N4O2S/c1-9-16-17-13(21-9)15-14(19)18-6-5-10-3-4-12(20-2)7-11(10)8-18/h3-4,7H,5-6,8H2,1-2H3,(H,15,17,19)
InChIKeyHQMVVJDNLSCFSD-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.45
Rot. Bonds2

About 7-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

7-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 56819733) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 7-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID56819733
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name7-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCOc1ccc2c(c1)CN(C(=O)Nc1nnc(C)s1)CC2
InChIInChI=1S/C14H16N4O2S/c1-9-16-17-13(21-9)15-14(19)18-6-5-10-3-4-12(20-2)7-11(10)8-18/h3-4,7H,5-6,8H2,1-2H3,(H,15,17,19)
InChIKeyHQMVVJDNLSCFSD-UHFFFAOYSA-N
XLogP2.45
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide with MolForge

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Related Compounds

8-methoxy-2,2-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,5-dihydro-1,4-benzoxazepine-4-carboxamide
CID 166238172
6-methoxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 46983234
N-(4,5-dimethyl-1,3-thiazol-2-yl)-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 48777985
6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl fluoride
CID 172635030
6-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxochromene-3-carboxamide
CID 19207124
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2,4-dimethoxybenzamide
CID 16942883
(3,5-dimethoxyphenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110726076
7-ethoxy-N-(2,4,6-trimethylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 86869738
2-(7-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclopropane-1-carboxylic acid
CID 119182591
2-(7-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclobutane-1-carboxylic acid
CID 120975551
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 3229528
N-(3,4-dimethylphenyl)-7-ethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 86869733

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 7-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 56819733) is 7-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 7-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is COc1ccc2c(c1)CN(C(=O)Nc1nnc(C)s1)CC2.
What is the InChIKey of 7-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is HQMVVJDNLSCFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-9-16-17-13(21-9)15-14(19)18-6-5-10-3-4-12(20-2)7-11(10)8-18/h3-4,7H,5-6,8H2,1-2H3,(H,15,17,19).
What are the key properties of 7-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
7-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 56819733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).