4-(2-methylpropyl)-N-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine

C16H24N2S — CID 61245797

IUPAC4-(2-methylpropyl)-N-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CSC(Nc2ccc(C(C)C)cc2)=N1
InChIInChI=1S/C16H24N2S/c1-11(2)9-15-10-19-16(18-15)17-14-7-5-13(6-8-14)12(3)4/h5-8,11-12,15H,9-10H2,1-4H3,(H,17,18)
InChIKeyRPBICHZAHSOPOH-UHFFFAOYSA-N
MW276.45 g/mol
LogP4.74
Rot. Bonds4

About 4-(2-methylpropyl)-N-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine

4-(2-methylpropyl)-N-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 61245797) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID61245797
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC Name4-(2-methylpropyl)-N-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CSC(Nc2ccc(C(C)C)cc2)=N1
InChIInChI=1S/C16H24N2S/c1-11(2)9-15-10-19-16(18-15)17-14-7-5-13(6-8-14)12(3)4/h5-8,11-12,15H,9-10H2,1-4H3,(H,17,18)
InChIKeyRPBICHZAHSOPOH-UHFFFAOYSA-N
XLogP4.74
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-methylpropyl)-N-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 61245797) is 4-(2-methylpropyl)-N-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-methylpropyl)-N-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-methylpropyl)-N-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)CC1CSC(Nc2ccc(C(C)C)cc2)=N1.
What is the InChIKey of 4-(2-methylpropyl)-N-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is RPBICHZAHSOPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S/c1-11(2)9-15-10-19-16(18-15)17-14-7-5-13(6-8-14)12(3)4/h5-8,11-12,15H,9-10H2,1-4H3,(H,17,18).
What are the key properties of 4-(2-methylpropyl)-N-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
4-(2-methylpropyl)-N-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 276.45 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 61245797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).