N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothian-4-amine

C11H18N2O2S2 — CID 54883230

IUPACN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothian-4-amine
SMILESCCc1ncc(CNC2CCS(=O)(=O)CC2)s1
InChIInChI=1S/C11H18N2O2S2/c1-2-11-13-8-10(16-11)7-12-9-3-5-17(14,15)6-4-9/h8-9,12H,2-7H2,1H3
InChIKeyAYFSEGPVWJKGOX-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.37
Rot. Bonds4

About N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothian-4-amine

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothian-4-amine (PubChem CID 54883230) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothian-4-amine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothian-4-amine
PubChem CID54883230
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothian-4-amine
SMILESCCc1ncc(CNC2CCS(=O)(=O)CC2)s1
InChIInChI=1S/C11H18N2O2S2/c1-2-11-13-8-10(16-11)7-12-9-3-5-17(14,15)6-4-9/h8-9,12H,2-7H2,1H3
InChIKeyAYFSEGPVWJKGOX-UHFFFAOYSA-N
XLogP1.37
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothian-4-amine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothian-4-amine (CID 54883230) is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothian-4-amine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothian-4-amine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothian-4-amine is CCc1ncc(CNC2CCS(=O)(=O)CC2)s1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothian-4-amine?
The InChIKey is AYFSEGPVWJKGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S2/c1-2-11-13-8-10(16-11)7-12-9-3-5-17(14,15)6-4-9/h8-9,12H,2-7H2,1H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothian-4-amine?
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothian-4-amine has a molecular weight of 274.41 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothian-4-amine is sourced from PubChem (CID 54883230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).