(3R)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,1-dioxothiolane-3-carboxamide

C11H16N2O3S2 — CID 124505774

IUPAC(3R)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,1-dioxothiolane-3-carboxamide
SMILESCc1csc(CCNC(=O)[C@H]2CCS(=O)(=O)C2)n1
InChIInChI=1S/C11H16N2O3S2/c1-8-6-17-10(13-8)2-4-12-11(14)9-3-5-18(15,16)7-9/h6,9H,2-5,7H2,1H3,(H,12,14)/t9-/m0/s1
InChIKeyYSHXCVWTGOPREF-VIFPVBQESA-N
MW288.39 g/mol
LogP0.54
Rot. Bonds4

About (3R)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,1-dioxothiolane-3-carboxamide

(3R)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,1-dioxothiolane-3-carboxamide (PubChem CID 124505774) has the molecular formula C11H16N2O3S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (3R)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,1-dioxothiolane-3-carboxamide
PubChem CID124505774
Molecular FormulaC11H16N2O3S2
Molecular Weight288.39 g/mol
Exact Mass288.06
IUPAC Name(3R)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,1-dioxothiolane-3-carboxamide
SMILESCc1csc(CCNC(=O)[C@H]2CCS(=O)(=O)C2)n1
InChIInChI=1S/C11H16N2O3S2/c1-8-6-17-10(13-8)2-4-12-11(14)9-3-5-18(15,16)7-9/h6,9H,2-5,7H2,1H3,(H,12,14)/t9-/m0/s1
InChIKeyYSHXCVWTGOPREF-VIFPVBQESA-N
XLogP0.54
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of (3R)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,1-dioxothiolane-3-carboxamide (CID 124505774) is (3R)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,1-dioxothiolane-3-carboxamide is Cc1csc(CCNC(=O)[C@H]2CCS(=O)(=O)C2)n1.
What is the InChIKey of (3R)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,1-dioxothiolane-3-carboxamide?
The InChIKey is YSHXCVWTGOPREF-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N2O3S2/c1-8-6-17-10(13-8)2-4-12-11(14)9-3-5-18(15,16)7-9/h6,9H,2-5,7H2,1H3,(H,12,14)/t9-/m0/s1.
What are the key properties of (3R)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,1-dioxothiolane-3-carboxamide?
(3R)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,1-dioxothiolane-3-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 124505774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).