N-[[5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine

C16H29N3OS — CID 80623959

IUPACN-[[5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
SMILESCC1CCC(C(C)C)C(Oc2nnc(CNC(C)C)s2)C1
InChIInChI=1S/C16H29N3OS/c1-10(2)13-7-6-12(5)8-14(13)20-16-19-18-15(21-16)9-17-11(3)4/h10-14,17H,6-9H2,1-5H3
InChIKeyQGQWXYBWFYHFFN-UHFFFAOYSA-N
MW311.50 g/mol
LogP3.88
Rot. Bonds6

About N-[[5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine

N-[[5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine (PubChem CID 80623959) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is N-[[5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
PubChem CID80623959
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC NameN-[[5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
SMILESCC1CCC(C(C)C)C(Oc2nnc(CNC(C)C)s2)C1
InChIInChI=1S/C16H29N3OS/c1-10(2)13-7-6-12(5)8-14(13)20-16-19-18-15(21-16)9-17-11(3)4/h10-14,17H,6-9H2,1-5H3
InChIKeyQGQWXYBWFYHFFN-UHFFFAOYSA-N
XLogP3.88
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine with MolForge

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Related Compounds

2-(chloromethyl)-5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3,4-thiadiazole
CID 80619230
N-[[5-(3,5-dimethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 80620861
N-[[5-(oxan-4-ylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 80620488
4-methyl-1-propan-2-yl-2-propoxycyclohexane
CID 54499043
(1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane
CID 11086237
N-[[5-(cyclopropylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 80623626
2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propan-2-ylprop-2-en-1-amine
CID 103074470
1-cyclopropyl-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine
CID 55088055
(1S,2R,4R)-4-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-propan-2-ylcyclohexane
CID 142760387
(1S,2R,4R)-2-(chloromethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 2724987
bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] propanedioate
CID 14226058
N-(cyclopropylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine
CID 62572050

Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine (CID 80623959) is N-[[5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine is CC1CCC(C(C)C)C(Oc2nnc(CNC(C)C)s2)C1.
What is the InChIKey of N-[[5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine?
The InChIKey is QGQWXYBWFYHFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-10(2)13-7-6-12(5)8-14(13)20-16-19-18-15(21-16)9-17-11(3)4/h10-14,17H,6-9H2,1-5H3.
What are the key properties of N-[[5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine?
N-[[5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine has a molecular weight of 311.50 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 80623959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).