5-(2,2-dimethylpropyl)-N-(3,3,5,5-tetramethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine

C18H34N2S — CID 107154684

IUPAC5-(2,2-dimethylpropyl)-N-(3,3,5,5-tetramethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)(C)CC1CN=C(NC2CC(C)(C)CC(C)(C)C2)S1
InChIInChI=1S/C18H34N2S/c1-16(2,3)10-14-11-19-15(21-14)20-13-8-17(4,5)12-18(6,7)9-13/h13-14H,8-12H2,1-7H3,(H,19,20)
InChIKeyRTJLLRUATFFFMS-UHFFFAOYSA-N
MW310.55 g/mol
LogP5.09
Rot. Bonds2

About 5-(2,2-dimethylpropyl)-N-(3,3,5,5-tetramethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine

5-(2,2-dimethylpropyl)-N-(3,3,5,5-tetramethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107154684) has the molecular formula C18H34N2S and a molecular weight of 310.55 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-N-(3,3,5,5-tetramethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-N-(3,3,5,5-tetramethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107154684
Molecular FormulaC18H34N2S
Molecular Weight310.55 g/mol
Exact Mass310.24
IUPAC Name5-(2,2-dimethylpropyl)-N-(3,3,5,5-tetramethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)(C)CC1CN=C(NC2CC(C)(C)CC(C)(C)C2)S1
InChIInChI=1S/C18H34N2S/c1-16(2,3)10-14-11-19-15(21-14)20-13-8-17(4,5)12-18(6,7)9-13/h13-14H,8-12H2,1-7H3,(H,19,20)
InChIKeyRTJLLRUATFFFMS-UHFFFAOYSA-N
XLogP5.09
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-N-(3,3,5,5-tetramethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-(2,2-dimethylpropyl)-N-(3,3,5,5-tetramethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 107154684) is 5-(2,2-dimethylpropyl)-N-(3,3,5,5-tetramethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-N-(3,3,5,5-tetramethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2,2-dimethylpropyl)-N-(3,3,5,5-tetramethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)(C)CC1CN=C(NC2CC(C)(C)CC(C)(C)C2)S1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-N-(3,3,5,5-tetramethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is RTJLLRUATFFFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2S/c1-16(2,3)10-14-11-19-15(21-14)20-13-8-17(4,5)12-18(6,7)9-13/h13-14H,8-12H2,1-7H3,(H,19,20).
What are the key properties of 5-(2,2-dimethylpropyl)-N-(3,3,5,5-tetramethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-(2,2-dimethylpropyl)-N-(3,3,5,5-tetramethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 310.55 g/mol, XLogP of 5.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-N-(3,3,5,5-tetramethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107154684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).