4-cyclopropyl-5-N-(4,4-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine

C14H23N3S — CID 103359639

IUPAC4-cyclopropyl-5-N-(4,4-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine
SMILESCC1(C)CCC(Nc2snc(N)c2C2CC2)CC1
InChIInChI=1S/C14H23N3S/c1-14(2)7-5-10(6-8-14)16-13-11(9-3-4-9)12(15)17-18-13/h9-10,16H,3-8H2,1-2H3,(H2,15,17)
InChIKeyZZVLWAOUSMNUOV-UHFFFAOYSA-N
MW265.43 g/mol
LogP3.98
Rot. Bonds3

About 4-cyclopropyl-5-N-(4,4-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine

4-cyclopropyl-5-N-(4,4-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine (PubChem CID 103359639) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 4-cyclopropyl-5-N-(4,4-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropyl-5-N-(4,4-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine
PubChem CID103359639
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name4-cyclopropyl-5-N-(4,4-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine
SMILESCC1(C)CCC(Nc2snc(N)c2C2CC2)CC1
InChIInChI=1S/C14H23N3S/c1-14(2)7-5-10(6-8-14)16-13-11(9-3-4-9)12(15)17-18-13/h9-10,16H,3-8H2,1-2H3,(H2,15,17)
InChIKeyZZVLWAOUSMNUOV-UHFFFAOYSA-N
XLogP3.98
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-N-(4,4-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropyl-5-N-(4,4-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine (CID 103359639) is 4-cyclopropyl-5-N-(4,4-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropyl-5-N-(4,4-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropyl-5-N-(4,4-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine is CC1(C)CCC(Nc2snc(N)c2C2CC2)CC1.
What is the InChIKey of 4-cyclopropyl-5-N-(4,4-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine?
The InChIKey is ZZVLWAOUSMNUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-14(2)7-5-10(6-8-14)16-13-11(9-3-4-9)12(15)17-18-13/h9-10,16H,3-8H2,1-2H3,(H2,15,17).
What are the key properties of 4-cyclopropyl-5-N-(4,4-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine?
4-cyclopropyl-5-N-(4,4-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine has a molecular weight of 265.43 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-N-(4,4-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).