5-N-cyclohexyl-5-N-ethyl-1,2-thiazole-3,5-diamine

C11H19N3S — CID 103362029

IUPAC5-N-cyclohexyl-5-N-ethyl-1,2-thiazole-3,5-diamine
SMILESCCN(c1cc(N)ns1)C1CCCCC1
InChIInChI=1S/C11H19N3S/c1-2-14(9-6-4-3-5-7-9)11-8-10(12)13-15-11/h8-9H,2-7H2,1H3,(H2,12,13)
InChIKeyZHSQXROLLLBOOE-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.88
Rot. Bonds3

About 5-N-cyclohexyl-5-N-ethyl-1,2-thiazole-3,5-diamine

5-N-cyclohexyl-5-N-ethyl-1,2-thiazole-3,5-diamine (PubChem CID 103362029) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 5-N-cyclohexyl-5-N-ethyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-cyclohexyl-5-N-ethyl-1,2-thiazole-3,5-diamine
PubChem CID103362029
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name5-N-cyclohexyl-5-N-ethyl-1,2-thiazole-3,5-diamine
SMILESCCN(c1cc(N)ns1)C1CCCCC1
InChIInChI=1S/C11H19N3S/c1-2-14(9-6-4-3-5-7-9)11-8-10(12)13-15-11/h8-9H,2-7H2,1H3,(H2,12,13)
InChIKeyZHSQXROLLLBOOE-UHFFFAOYSA-N
XLogP2.88
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360699
5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360729
5-(4-Fluoropiperidin-1-yl)-1,2-thiazol-3-amine
CID 164659383
5-[4-(Fluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine
CID 164659442
5-Piperidin-1-yl-1,2-thiazol-3-amine
CID 83668920
5-(9-Methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2-thiazol-3-amine
CID 103359097
5-N-(2-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine
CID 103359195
5-N-(2-methyl-3-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine
CID 103359232
5-N-[2-(dimethylamino)propyl]-1,2-thiazole-3,5-diamine
CID 103359279
5-N-(4-methylpentyl)-1,2-thiazole-3,5-diamine
CID 103359312
5-N-(1-ethylpiperidin-4-yl)-1,2-thiazole-3,5-diamine
CID 103359353
5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine
CID 103359379

Frequently Asked Questions

What is the IUPAC name of 5-N-cyclohexyl-5-N-ethyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-cyclohexyl-5-N-ethyl-1,2-thiazole-3,5-diamine (CID 103362029) is 5-N-cyclohexyl-5-N-ethyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-cyclohexyl-5-N-ethyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-cyclohexyl-5-N-ethyl-1,2-thiazole-3,5-diamine is CCN(c1cc(N)ns1)C1CCCCC1.
What is the InChIKey of 5-N-cyclohexyl-5-N-ethyl-1,2-thiazole-3,5-diamine?
The InChIKey is ZHSQXROLLLBOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-2-14(9-6-4-3-5-7-9)11-8-10(12)13-15-11/h8-9H,2-7H2,1H3,(H2,12,13).
What are the key properties of 5-N-cyclohexyl-5-N-ethyl-1,2-thiazole-3,5-diamine?
5-N-cyclohexyl-5-N-ethyl-1,2-thiazole-3,5-diamine has a molecular weight of 225.36 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclohexyl-5-N-ethyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103362029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).