5-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine

C15H19N3S — CID 133366101

IUPAC5-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1nnc(NC2CCCc3ccccc32)s1
InChIInChI=1S/C15H19N3S/c1-10(2)14-17-18-15(19-14)16-13-9-5-7-11-6-3-4-8-12(11)13/h3-4,6,8,10,13H,5,7,9H2,1-2H3,(H,16,18)
InChIKeyYFZRXECIZXARNS-UHFFFAOYSA-N
MW273.41 g/mol
LogP4.15
Rot. Bonds3

About 5-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine

5-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 133366101) has the molecular formula C15H19N3S and a molecular weight of 273.41 g/mol. Its IUPAC name is 5-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine
PubChem CID133366101
Molecular FormulaC15H19N3S
Molecular Weight273.41 g/mol
Exact Mass273.13
IUPAC Name5-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1nnc(NC2CCCc3ccccc32)s1
InChIInChI=1S/C15H19N3S/c1-10(2)14-17-18-15(19-14)16-13-9-5-7-11-6-3-4-8-12(11)13/h3-4,6,8,10,13H,5,7,9H2,1-2H3,(H,16,18)
InChIKeyYFZRXECIZXARNS-UHFFFAOYSA-N
XLogP4.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

(1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 158216876
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazol-5-amine
CID 65276359
6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzothiazol-2-amine
CID 78908767
N-[(1R)-1-cycloheptylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81390131
6-chloro-4,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridazin-3-amine
CID 63271648
5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzothiazol-2-amine
CID 63547158
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-2H-pyrrol-5-amine
CID 2123116
N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 78956142
6-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridazin-3-amine
CID 60674920
N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43204364
N-methyliodanuidyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 166139472
N-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65470081

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine (CID 133366101) is 5-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine is CC(C)c1nnc(NC2CCCc3ccccc32)s1.
What is the InChIKey of 5-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is YFZRXECIZXARNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-10(2)14-17-18-15(19-14)16-13-9-5-7-11-6-3-4-8-12(11)13/h3-4,6,8,10,13H,5,7,9H2,1-2H3,(H,16,18).
What are the key properties of 5-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine?
5-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 273.41 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133366101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).