5-(2,2-dimethylpropyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine

C16H30N2S — CID 107154544

IUPAC5-(2,2-dimethylpropyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)(C)CC1CN=C(NCC2C(C)(C)C2(C)C)S1
InChIInChI=1S/C16H30N2S/c1-14(2,3)8-11-9-17-13(19-11)18-10-12-15(4,5)16(12,6)7/h11-12H,8-10H2,1-7H3,(H,17,18)
InChIKeyMFUUFOQTEPRSAI-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.17
Rot. Bonds3

About 5-(2,2-dimethylpropyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine

5-(2,2-dimethylpropyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107154544) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107154544
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC Name5-(2,2-dimethylpropyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)(C)CC1CN=C(NCC2C(C)(C)C2(C)C)S1
InChIInChI=1S/C16H30N2S/c1-14(2,3)8-11-9-17-13(19-11)18-10-12-15(4,5)16(12,6)7/h11-12H,8-10H2,1-7H3,(H,17,18)
InChIKeyMFUUFOQTEPRSAI-UHFFFAOYSA-N
XLogP4.17
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2,2-dimethylpropyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-(2,2-dimethylpropyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 107154544) is 5-(2,2-dimethylpropyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2,2-dimethylpropyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is CC(C)(C)CC1CN=C(NCC2C(C)(C)C2(C)C)S1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is MFUUFOQTEPRSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2S/c1-14(2,3)8-11-9-17-13(19-11)18-10-12-15(4,5)16(12,6)7/h11-12H,8-10H2,1-7H3,(H,17,18).
What are the key properties of 5-(2,2-dimethylpropyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
5-(2,2-dimethylpropyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 282.50 g/mol, XLogP of 4.17, 3 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-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107154544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).