4-(2-methylpropyl)-N-(1-methylsulfonylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine

C11H22N2O2S2 — CID 64642850

IUPAC4-(2-methylpropyl)-N-(1-methylsulfonylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CSC(NC(C)CS(C)(=O)=O)=N1
InChIInChI=1S/C11H22N2O2S2/c1-8(2)5-10-6-16-11(13-10)12-9(3)7-17(4,14)15/h8-10H,5-7H2,1-4H3,(H,12,13)
InChIKeyGAYUJUGQCVERGF-UHFFFAOYSA-N
MW278.44 g/mol
LogP1.53
Rot. Bonds5

About 4-(2-methylpropyl)-N-(1-methylsulfonylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine

4-(2-methylpropyl)-N-(1-methylsulfonylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 64642850) has the molecular formula C11H22N2O2S2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-(1-methylsulfonylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-(1-methylsulfonylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID64642850
Molecular FormulaC11H22N2O2S2
Molecular Weight278.44 g/mol
Exact Mass278.11
IUPAC Name4-(2-methylpropyl)-N-(1-methylsulfonylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CSC(NC(C)CS(C)(=O)=O)=N1
InChIInChI=1S/C11H22N2O2S2/c1-8(2)5-10-6-16-11(13-10)12-9(3)7-17(4,14)15/h8-10H,5-7H2,1-4H3,(H,12,13)
InChIKeyGAYUJUGQCVERGF-UHFFFAOYSA-N
XLogP1.53
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-(1-methylsulfonylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-methylpropyl)-N-(1-methylsulfonylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine (CID 64642850) is 4-(2-methylpropyl)-N-(1-methylsulfonylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-methylpropyl)-N-(1-methylsulfonylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-methylpropyl)-N-(1-methylsulfonylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)CC1CSC(NC(C)CS(C)(=O)=O)=N1.
What is the InChIKey of 4-(2-methylpropyl)-N-(1-methylsulfonylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is GAYUJUGQCVERGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S2/c1-8(2)5-10-6-16-11(13-10)12-9(3)7-17(4,14)15/h8-10H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 4-(2-methylpropyl)-N-(1-methylsulfonylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
4-(2-methylpropyl)-N-(1-methylsulfonylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 278.44 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-(1-methylsulfonylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 64642850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).