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

C12H22N2OS2 — CID 107154781

IUPAC5-(2-methylpropyl)-N-(1-oxothian-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CN=C(NC2CCS(=O)CC2)S1
InChIInChI=1S/C12H22N2OS2/c1-9(2)7-11-8-13-12(16-11)14-10-3-5-17(15)6-4-10/h9-11H,3-8H2,1-2H3,(H,13,14)
InChIKeyAJARROWDVPHZBM-UHFFFAOYSA-N
MW274.45 g/mol
LogP2.00
Rot. Bonds3

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

5-(2-methylpropyl)-N-(1-oxothian-4-yl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107154781) has the molecular formula C12H22N2OS2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 5-(2-methylpropyl)-N-(1-oxothian-4-yl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-methylpropyl)-N-(1-oxothian-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107154781
Molecular FormulaC12H22N2OS2
Molecular Weight274.45 g/mol
Exact Mass274.12
IUPAC Name5-(2-methylpropyl)-N-(1-oxothian-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CN=C(NC2CCS(=O)CC2)S1
InChIInChI=1S/C12H22N2OS2/c1-9(2)7-11-8-13-12(16-11)14-10-3-5-17(15)6-4-10/h9-11H,3-8H2,1-2H3,(H,13,14)
InChIKeyAJARROWDVPHZBM-UHFFFAOYSA-N
XLogP2.00
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-N-(1-oxothian-4-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-(2-methylpropyl)-N-(1-oxothian-4-yl)-4,5-dihydro-1,3-thiazol-2-amine (CID 107154781) is 5-(2-methylpropyl)-N-(1-oxothian-4-yl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2-methylpropyl)-N-(1-oxothian-4-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2-methylpropyl)-N-(1-oxothian-4-yl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)CC1CN=C(NC2CCS(=O)CC2)S1.
What is the InChIKey of 5-(2-methylpropyl)-N-(1-oxothian-4-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is AJARROWDVPHZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS2/c1-9(2)7-11-8-13-12(16-11)14-10-3-5-17(15)6-4-10/h9-11H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 5-(2-methylpropyl)-N-(1-oxothian-4-yl)-4,5-dihydro-1,3-thiazol-2-amine?
5-(2-methylpropyl)-N-(1-oxothian-4-yl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 274.45 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-N-(1-oxothian-4-yl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107154781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).