1-[2-(1,1-dioxothian-2-yl)-1,3-thiazol-5-yl]propan-2-amine

C11H18N2O2S2 — CID 115090694

IUPAC1-[2-(1,1-dioxothian-2-yl)-1,3-thiazol-5-yl]propan-2-amine
SMILESCC(N)Cc1cnc(C2CCCCS2(=O)=O)s1
InChIInChI=1S/C11H18N2O2S2/c1-8(12)6-9-7-13-11(16-9)10-4-2-3-5-17(10,14)15/h7-8,10H,2-6,12H2,1H3
InChIKeyHDUUYKBBSRZZDT-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.67
Rot. Bonds3

About 1-[2-(1,1-dioxothian-2-yl)-1,3-thiazol-5-yl]propan-2-amine

1-[2-(1,1-dioxothian-2-yl)-1,3-thiazol-5-yl]propan-2-amine (PubChem CID 115090694) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[2-(1,1-dioxothian-2-yl)-1,3-thiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(1,1-dioxothian-2-yl)-1,3-thiazol-5-yl]propan-2-amine
PubChem CID115090694
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC Name1-[2-(1,1-dioxothian-2-yl)-1,3-thiazol-5-yl]propan-2-amine
SMILESCC(N)Cc1cnc(C2CCCCS2(=O)=O)s1
InChIInChI=1S/C11H18N2O2S2/c1-8(12)6-9-7-13-11(16-9)10-4-2-3-5-17(10,14)15/h7-8,10H,2-6,12H2,1H3
InChIKeyHDUUYKBBSRZZDT-UHFFFAOYSA-N
XLogP1.67
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1,1-dioxothian-2-yl)-1,3-thiazol-5-yl]methanol
CID 115090603
2-[2-(1,1-dioxothiolan-2-yl)-1,3-thiazol-5-yl]acetaldehyde
CID 115090499
1-(2-cyclohexyl-1,3-thiazol-5-yl)propan-2-ol
CID 115091994
1-[2-[(1,1-dioxothiolan-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine
CID 115090109
1-[2-(1,1-dioxothian-2-yl)-1,3-thiazol-4-yl]propan-2-ol
CID 115088486
3-(1,1-dioxothian-2-yl)-4-(2-methylpropyl)-1,2-oxazol-5-amine
CID 113422169
N-[[5-(1,1-dioxothian-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 113422528
1-[2-(1,1-dioxothiolan-3-yl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine
CID 115089834
(2S)-1-(2-methyl-1,3-thiazol-5-yl)propan-2-amine
CID 95426522
2-(5-iodo-1,3,4-thiadiazol-2-yl)thiane 1,1-dioxide
CID 104522217
N-[[5-(1,1-dioxothian-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
CID 104522616
1-(5-cyclohexyl-1,3-thiazol-2-yl)propan-2-amine
CID 83849991

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-dioxothian-2-yl)-1,3-thiazol-5-yl]propan-2-amine?
The IUPAC name of 1-[2-(1,1-dioxothian-2-yl)-1,3-thiazol-5-yl]propan-2-amine (CID 115090694) is 1-[2-(1,1-dioxothian-2-yl)-1,3-thiazol-5-yl]propan-2-amine.
What is the SMILES notation for 1-[2-(1,1-dioxothian-2-yl)-1,3-thiazol-5-yl]propan-2-amine?
The canonical SMILES for 1-[2-(1,1-dioxothian-2-yl)-1,3-thiazol-5-yl]propan-2-amine is CC(N)Cc1cnc(C2CCCCS2(=O)=O)s1.
What is the InChIKey of 1-[2-(1,1-dioxothian-2-yl)-1,3-thiazol-5-yl]propan-2-amine?
The InChIKey is HDUUYKBBSRZZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S2/c1-8(12)6-9-7-13-11(16-9)10-4-2-3-5-17(10,14)15/h7-8,10H,2-6,12H2,1H3.
What are the key properties of 1-[2-(1,1-dioxothian-2-yl)-1,3-thiazol-5-yl]propan-2-amine?
1-[2-(1,1-dioxothian-2-yl)-1,3-thiazol-5-yl]propan-2-amine has a molecular weight of 274.41 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1-dioxothian-2-yl)-1,3-thiazol-5-yl]propan-2-amine is sourced from PubChem (CID 115090694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).