5-isoquinolin-6-yl-N-[[(1R)-2-methylidenecyclohexyl]methyl]-1,3,4-thiadiazol-2-amine

C19H20N4S — CID 89210579

IUPAC5-isoquinolin-6-yl-N-[[(1R)-2-methylidenecyclohexyl]methyl]-1,3,4-thiadiazol-2-amine
SMILESC=C1CCCC[C@H]1CNc1nnc(-c2ccc3cnccc3c2)s1
InChIInChI=1S/C19H20N4S/c1-13-4-2-3-5-16(13)12-21-19-23-22-18(24-19)15-6-7-17-11-20-9-8-14(17)10-15/h6-11,16H,1-5,12H2,(H,21,23)/t16-/m0/s1
InChIKeyIALJLOIXPRVBNP-INIZCTEOSA-N
MW336.46 g/mol
LogP4.91
Rot. Bonds4

About 5-isoquinolin-6-yl-N-[[(1R)-2-methylidenecyclohexyl]methyl]-1,3,4-thiadiazol-2-amine

5-isoquinolin-6-yl-N-[[(1R)-2-methylidenecyclohexyl]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 89210579) has the molecular formula C19H20N4S and a molecular weight of 336.46 g/mol. Its IUPAC name is 5-isoquinolin-6-yl-N-[[(1R)-2-methylidenecyclohexyl]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-isoquinolin-6-yl-N-[[(1R)-2-methylidenecyclohexyl]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID89210579
Molecular FormulaC19H20N4S
Molecular Weight336.46 g/mol
Exact Mass336.14
IUPAC Name5-isoquinolin-6-yl-N-[[(1R)-2-methylidenecyclohexyl]methyl]-1,3,4-thiadiazol-2-amine
SMILESC=C1CCCC[C@H]1CNc1nnc(-c2ccc3cnccc3c2)s1
InChIInChI=1S/C19H20N4S/c1-13-4-2-3-5-16(13)12-21-19-23-22-18(24-19)15-6-7-17-11-20-9-8-14(17)10-15/h6-11,16H,1-5,12H2,(H,21,23)/t16-/m0/s1
InChIKeyIALJLOIXPRVBNP-INIZCTEOSA-N
XLogP4.91
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3a,7a-dihydro-1H-benzimidazol-2-ylmethyl)-5-isoquinolin-6-yl-1,3,4-thiadiazol-2-amine
CID 71035825
N-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)oxane-4-carboxamide
CID 168925845
(2R)-3-(2,4-dichlorophenyl)-1-N-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)propane-1,2-diamine
CID 67091459
(2R)-2-N-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)-3-pyridin-4-ylpropane-1,2-diamine
CID 59818223
(2R)-3-(3-fluorophenyl)-1-N-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)propane-1,2-diamine
CID 67091302
(2R)-2-N-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)-3-phenylpropane-1,2-diamine
CID 24849351
2-N-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)-1-N,1-N-dimethyl-3-phenylpropane-1,2-diamine
CID 24849393
2-[(2S)-3-(4-fluorophenyl)-2-[(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)amino]propyl]isoindole-1,3-dione
CID 69212288
(1R)-1-cyclopentyl-N-(isoquinolin-6-ylmethyl)ethanamine
CID 107038712
(1S)-1-cyclopentyl-N-(isoquinolin-6-ylmethyl)ethanamine
CID 107038710
1-(4-chlorocyclohexylidene)-N'-[5-isoquinolin-6-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]ethane-1,2-diamine
CID 90959975
6-cyclopentylisoquinoline
CID 154662765

Frequently Asked Questions

What is the IUPAC name of 5-isoquinolin-6-yl-N-[[(1R)-2-methylidenecyclohexyl]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-isoquinolin-6-yl-N-[[(1R)-2-methylidenecyclohexyl]methyl]-1,3,4-thiadiazol-2-amine (CID 89210579) is 5-isoquinolin-6-yl-N-[[(1R)-2-methylidenecyclohexyl]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-isoquinolin-6-yl-N-[[(1R)-2-methylidenecyclohexyl]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-isoquinolin-6-yl-N-[[(1R)-2-methylidenecyclohexyl]methyl]-1,3,4-thiadiazol-2-amine is C=C1CCCC[C@H]1CNc1nnc(-c2ccc3cnccc3c2)s1.
What is the InChIKey of 5-isoquinolin-6-yl-N-[[(1R)-2-methylidenecyclohexyl]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is IALJLOIXPRVBNP-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20N4S/c1-13-4-2-3-5-16(13)12-21-19-23-22-18(24-19)15-6-7-17-11-20-9-8-14(17)10-15/h6-11,16H,1-5,12H2,(H,21,23)/t16-/m0/s1.
What are the key properties of 5-isoquinolin-6-yl-N-[[(1R)-2-methylidenecyclohexyl]methyl]-1,3,4-thiadiazol-2-amine?
5-isoquinolin-6-yl-N-[[(1R)-2-methylidenecyclohexyl]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 336.46 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-isoquinolin-6-yl-N-[[(1R)-2-methylidenecyclohexyl]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 89210579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).