1-(ethylamino)-N-(1,3,4-thiadiazol-2-yl)isoquinoline-4-carboxamide

C14H13N5OS — CID 106769743

IUPAC1-(ethylamino)-N-(1,3,4-thiadiazol-2-yl)isoquinoline-4-carboxamide
SMILESCCNc1ncc(C(=O)Nc2nncs2)c2ccccc12
InChIInChI=1S/C14H13N5OS/c1-2-15-12-10-6-4-3-5-9(10)11(7-16-12)13(20)18-14-19-17-8-21-14/h3-8H,2H2,1H3,(H,15,16)(H,18,19,20)
InChIKeyRNWBYYJRZBBYPB-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.77
Rot. Bonds4

About 1-(ethylamino)-N-(1,3,4-thiadiazol-2-yl)isoquinoline-4-carboxamide

1-(ethylamino)-N-(1,3,4-thiadiazol-2-yl)isoquinoline-4-carboxamide (PubChem CID 106769743) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is 1-(ethylamino)-N-(1,3,4-thiadiazol-2-yl)isoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-(ethylamino)-N-(1,3,4-thiadiazol-2-yl)isoquinoline-4-carboxamide
PubChem CID106769743
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC Name1-(ethylamino)-N-(1,3,4-thiadiazol-2-yl)isoquinoline-4-carboxamide
SMILESCCNc1ncc(C(=O)Nc2nncs2)c2ccccc12
InChIInChI=1S/C14H13N5OS/c1-2-15-12-10-6-4-3-5-9(10)11(7-16-12)13(20)18-14-19-17-8-21-14/h3-8H,2H2,1H3,(H,15,16)(H,18,19,20)
InChIKeyRNWBYYJRZBBYPB-UHFFFAOYSA-N
XLogP2.77
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(ethylamino)-N-propan-2-ylisoquinoline-4-carboxamide
CID 106770073
1-(ethylamino)-N-(2-methylbutan-2-yl)isoquinoline-4-carboxamide
CID 106770044
N-(2,2-dimethylpropyl)-1-(ethylamino)isoquinoline-4-carboxamide
CID 106770928
1-(ethylamino)-N-(2-methoxyethyl)isoquinoline-4-carboxamide
CID 106770082
1-(ethylamino)-N-(3-methoxypropyl)isoquinoline-4-carboxamide
CID 106770431
1-(ethylamino)-N-(2-methoxypropyl)isoquinoline-4-carboxamide
CID 106773177
1-(ethylamino)-N-(2-hydroxypropyl)-N-methylisoquinoline-4-carboxamide
CID 106771618
6-(methylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 62185563
2-(2,4-dimethylphenyl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 1010315
2-benzamido-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 2806491
1-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinoline-4-carboxamide
CID 106772932
6-[2-(diethylamino)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133381329

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-N-(1,3,4-thiadiazol-2-yl)isoquinoline-4-carboxamide?
The IUPAC name of 1-(ethylamino)-N-(1,3,4-thiadiazol-2-yl)isoquinoline-4-carboxamide (CID 106769743) is 1-(ethylamino)-N-(1,3,4-thiadiazol-2-yl)isoquinoline-4-carboxamide.
What is the SMILES notation for 1-(ethylamino)-N-(1,3,4-thiadiazol-2-yl)isoquinoline-4-carboxamide?
The canonical SMILES for 1-(ethylamino)-N-(1,3,4-thiadiazol-2-yl)isoquinoline-4-carboxamide is CCNc1ncc(C(=O)Nc2nncs2)c2ccccc12.
What is the InChIKey of 1-(ethylamino)-N-(1,3,4-thiadiazol-2-yl)isoquinoline-4-carboxamide?
The InChIKey is RNWBYYJRZBBYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c1-2-15-12-10-6-4-3-5-9(10)11(7-16-12)13(20)18-14-19-17-8-21-14/h3-8H,2H2,1H3,(H,15,16)(H,18,19,20).
What are the key properties of 1-(ethylamino)-N-(1,3,4-thiadiazol-2-yl)isoquinoline-4-carboxamide?
1-(ethylamino)-N-(1,3,4-thiadiazol-2-yl)isoquinoline-4-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-N-(1,3,4-thiadiazol-2-yl)isoquinoline-4-carboxamide is sourced from PubChem (CID 106769743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).