5-[5-(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile

C22H24N4OS — CID 139438195

IUPAC5-[5-(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile
SMILESCC(C)Oc1ccc(C2NN=C(c3cccc4c3CCCC4N)S2)cc1C#N
InChIInChI=1S/C22H24N4OS/c1-13(2)27-20-10-9-14(11-15(20)12-23)21-25-26-22(28-21)18-7-3-6-17-16(18)5-4-8-19(17)24/h3,6-7,9-11,13,19,21,25H,4-5,8,24H2,1-2H3
InChIKeyHTAVGHLRLPNVEU-UHFFFAOYSA-N
MW392.53 g/mol
LogP4.38
Rot. Bonds4

About 5-[5-(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile

5-[5-(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile (PubChem CID 139438195) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is 5-[5-(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile.

Molecular Properties

Compound Name5-[5-(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile
PubChem CID139438195
Molecular FormulaC22H24N4OS
Molecular Weight392.53 g/mol
Exact Mass392.17
IUPAC Name5-[5-(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile
SMILESCC(C)Oc1ccc(C2NN=C(c3cccc4c3CCCC4N)S2)cc1C#N
InChIInChI=1S/C22H24N4OS/c1-13(2)27-20-10-9-14(11-15(20)12-23)21-25-26-22(28-21)18-7-3-6-17-16(18)5-4-8-19(17)24/h3,6-7,9-11,13,19,21,25H,4-5,8,24H2,1-2H3
InChIKeyHTAVGHLRLPNVEU-UHFFFAOYSA-N
XLogP4.38
TPSA83.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[5-(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;hydrochloride
CID 71014046
5-[5-[(5S)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;hydrochloride
CID 118451216
5-[2-(1-amino-2,3-dihydro-1H-inden-4-yl)-1,3-thiazol-5-yl]-2-propan-2-yloxybenzonitrile;hydrochloride
CID 67196325
(1R)-5-[5-(3-isocyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 123595645
5-[5-[(5R)-5-(benzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile
CID 118460364
5-[5-[1-(azetidin-1-yl)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile
CID 118358618
5-[5-[(1S)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;methyl 2-[[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoacetate
CID 159370996
5-[5-(1-methyl-2,3-dihydro-1H-inden-4-yl)-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile
CID 76735852
2-(3-cyano-4-propan-2-yloxyphenyl)-5-[(5R)-5-(sulfamoylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,3-thiazole
CID 71014008
5-[5-(1-methyl-2,3-dihydro-1H-inden-4-yl)thiophen-2-yl]-2-propan-2-yloxybenzonitrile
CID 58367155
(1R)-5-[4-[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 164817442
5-[3-[(1S)-1-methyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-thiadiazol-5-yl]-2-propan-2-yloxybenzonitrile
CID 118460347

Frequently Asked Questions

What is the IUPAC name of 5-[5-(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile?
The IUPAC name of 5-[5-(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile (CID 139438195) is 5-[5-(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile.
What is the SMILES notation for 5-[5-(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile?
The canonical SMILES for 5-[5-(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile is CC(C)Oc1ccc(C2NN=C(c3cccc4c3CCCC4N)S2)cc1C#N.
What is the InChIKey of 5-[5-(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile?
The InChIKey is HTAVGHLRLPNVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4OS/c1-13(2)27-20-10-9-14(11-15(20)12-23)21-25-26-22(28-21)18-7-3-6-17-16(18)5-4-8-19(17)24/h3,6-7,9-11,13,19,21,25H,4-5,8,24H2,1-2H3.
What are the key properties of 5-[5-(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile?
5-[5-(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile has a molecular weight of 392.53 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile is sourced from PubChem (CID 139438195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).