1-cyclohexyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine

C10H17N3S2 — CID 104755410

IUPAC1-cyclohexyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
SMILESNC(CSc1nncs1)C1CCCCC1
InChIInChI=1S/C10H17N3S2/c11-9(8-4-2-1-3-5-8)6-14-10-13-12-7-15-10/h7-9H,1-6,11H2
InChIKeySQKQAXDXDRHGIU-UHFFFAOYSA-N
MW243.40 g/mol
LogP2.54
Rot. Bonds4

About 1-cyclohexyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine

1-cyclohexyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine (PubChem CID 104755410) has the molecular formula C10H17N3S2 and a molecular weight of 243.40 g/mol. Its IUPAC name is 1-cyclohexyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
PubChem CID104755410
Molecular FormulaC10H17N3S2
Molecular Weight243.40 g/mol
Exact Mass243.09
IUPAC Name1-cyclohexyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
SMILESNC(CSc1nncs1)C1CCCCC1
InChIInChI=1S/C10H17N3S2/c11-9(8-4-2-1-3-5-8)6-14-10-13-12-7-15-10/h7-9H,1-6,11H2
InChIKeySQKQAXDXDRHGIU-UHFFFAOYSA-N
XLogP2.54
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
CID 104755413
1-cyclohexyl-2-thiophen-2-ylsulfanylethanamine
CID 104755139
1-cyclopentyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanamine
CID 104755990
2-(thiiran-2-ylmethylsulfanyl)-1,3,4-thiadiazole
CID 175403476
N-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexanamine
CID 87276544
1-cyclopentyl-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanamine
CID 104755981
N-(cyclohexylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
CID 62577881
1-cyclohexyl-2-(5-methylpyrimidin-2-yl)sulfanylethanamine
CID 104755796
2-(2,2-dimethoxyethylsulfanyl)-1,3,4-thiadiazole
CID 66224085
1-cyclohexyl-2-(3,4-dichlorophenyl)sulfanylethanamine
CID 104755863
1-cyclohexyl-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 113449523
4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-amine
CID 64650373

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine?
The IUPAC name of 1-cyclohexyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine (CID 104755410) is 1-cyclohexyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine.
What is the SMILES notation for 1-cyclohexyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine?
The canonical SMILES for 1-cyclohexyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine is NC(CSc1nncs1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine?
The InChIKey is SQKQAXDXDRHGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S2/c11-9(8-4-2-1-3-5-8)6-14-10-13-12-7-15-10/h7-9H,1-6,11H2.
What are the key properties of 1-cyclohexyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine?
1-cyclohexyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine has a molecular weight of 243.40 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine is sourced from PubChem (CID 104755410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).