2-amino-4-ethyl-N-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-1,3-thiazole-5-carboxamide

C11H17N3O4S2 — CID 77082358

IUPAC2-amino-4-ethyl-N-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-1,3-thiazole-5-carboxamide
SMILESCCc1nc(N)sc1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC
InChIInChI=1S/C11H17N3O4S2/c1-3-6-9(19-11(12)14-6)10(15)13-7-4-20(16,17)5-8(7)18-2/h7-8H,3-5H2,1-2H3,(H2,12,14)(H,13,15)/t7-,8-/m1/s1
InChIKeyYJCQBFBRZVITPN-HTQZYQBOSA-N
MW319.41 g/mol
LogP-0.17
Rot. Bonds4

About 2-amino-4-ethyl-N-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-1,3-thiazole-5-carboxamide

2-amino-4-ethyl-N-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-1,3-thiazole-5-carboxamide (PubChem CID 77082358) has the molecular formula C11H17N3O4S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-amino-4-ethyl-N-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-ethyl-N-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-1,3-thiazole-5-carboxamide
PubChem CID77082358
Molecular FormulaC11H17N3O4S2
Molecular Weight319.41 g/mol
Exact Mass319.07
IUPAC Name2-amino-4-ethyl-N-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-1,3-thiazole-5-carboxamide
SMILESCCc1nc(N)sc1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC
InChIInChI=1S/C11H17N3O4S2/c1-3-6-9(19-11(12)14-6)10(15)13-7-4-20(16,17)5-8(7)18-2/h7-8H,3-5H2,1-2H3,(H2,12,14)(H,13,15)/t7-,8-/m1/s1
InChIKeyYJCQBFBRZVITPN-HTQZYQBOSA-N
XLogP-0.17
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-ethyl-N-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-4-ethyl-N-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-1,3-thiazole-5-carboxamide (CID 77082358) is 2-amino-4-ethyl-N-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-4-ethyl-N-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-4-ethyl-N-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-1,3-thiazole-5-carboxamide is CCc1nc(N)sc1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC.
What is the InChIKey of 2-amino-4-ethyl-N-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is YJCQBFBRZVITPN-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H17N3O4S2/c1-3-6-9(19-11(12)14-6)10(15)13-7-4-20(16,17)5-8(7)18-2/h7-8H,3-5H2,1-2H3,(H2,12,14)(H,13,15)/t7-,8-/m1/s1.
What are the key properties of 2-amino-4-ethyl-N-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-1,3-thiazole-5-carboxamide?
2-amino-4-ethyl-N-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 319.41 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-ethyl-N-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 77082358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).