(4S)-N-(1-methylsulfinylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

C10H20N2OS2 — CID 114985835

IUPAC(4S)-N-(1-methylsulfinylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(CS(C)=O)NC1=N[C@@H](C(C)C)CS1
InChIInChI=1S/C10H20N2OS2/c1-7(2)9-5-14-10(12-9)11-8(3)6-15(4)13/h7-9H,5-6H2,1-4H3,(H,11,12)/t8?,9-,15?/m1/s1
InChIKeyPDCNAJDSIGKTNH-OSPBMLLASA-N
MW248.42 g/mol
LogP1.47
Rot. Bonds4

About (4S)-N-(1-methylsulfinylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

(4S)-N-(1-methylsulfinylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 114985835) has the molecular formula C10H20N2OS2 and a molecular weight of 248.42 g/mol. Its IUPAC name is (4S)-N-(1-methylsulfinylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name(4S)-N-(1-methylsulfinylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID114985835
Molecular FormulaC10H20N2OS2
Molecular Weight248.42 g/mol
Exact Mass248.10
IUPAC Name(4S)-N-(1-methylsulfinylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(CS(C)=O)NC1=N[C@@H](C(C)C)CS1
InChIInChI=1S/C10H20N2OS2/c1-7(2)9-5-14-10(12-9)11-8(3)6-15(4)13/h7-9H,5-6H2,1-4H3,(H,11,12)/t8?,9-,15?/m1/s1
InChIKeyPDCNAJDSIGKTNH-OSPBMLLASA-N
XLogP1.47
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.42
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-(1-methylsulfinylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of (4S)-N-(1-methylsulfinylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 114985835) is (4S)-N-(1-methylsulfinylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for (4S)-N-(1-methylsulfinylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for (4S)-N-(1-methylsulfinylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is CC(CS(C)=O)NC1=N[C@@H](C(C)C)CS1.
What is the InChIKey of (4S)-N-(1-methylsulfinylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is PDCNAJDSIGKTNH-OSPBMLLASA-N. The full InChI is InChI=1S/C10H20N2OS2/c1-7(2)9-5-14-10(12-9)11-8(3)6-15(4)13/h7-9H,5-6H2,1-4H3,(H,11,12)/t8?,9-,15?/m1/s1.
What are the key properties of (4S)-N-(1-methylsulfinylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
(4S)-N-(1-methylsulfinylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 248.42 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(1-methylsulfinylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 114985835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).