N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide

C12H19N3O3S2 — CID 138044444

IUPACN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCCc1cnc(CN(C)C(=O)N2CCS(=O)(=O)CC2)s1
InChIInChI=1S/C12H19N3O3S2/c1-3-10-8-13-11(19-10)9-14(2)12(16)15-4-6-20(17,18)7-5-15/h8H,3-7,9H2,1-2H3
InChIKeyZWRDJJJMBYZMJZ-UHFFFAOYSA-N
MW317.44 g/mol
LogP0.99
Rot. Bonds3

About N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide (PubChem CID 138044444) has the molecular formula C12H19N3O3S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
PubChem CID138044444
Molecular FormulaC12H19N3O3S2
Molecular Weight317.44 g/mol
Exact Mass317.09
IUPAC NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCCc1cnc(CN(C)C(=O)N2CCS(=O)(=O)CC2)s1
InChIInChI=1S/C12H19N3O3S2/c1-3-10-8-13-11(19-10)9-14(2)12(16)15-4-6-20(17,18)7-5-15/h8H,3-7,9H2,1-2H3
InChIKeyZWRDJJJMBYZMJZ-UHFFFAOYSA-N
XLogP0.99
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide (CID 138044444) is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide is CCc1cnc(CN(C)C(=O)N2CCS(=O)(=O)CC2)s1.
What is the InChIKey of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The InChIKey is ZWRDJJJMBYZMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S2/c1-3-10-8-13-11(19-10)9-14(2)12(16)15-4-6-20(17,18)7-5-15/h8H,3-7,9H2,1-2H3.
What are the key properties of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide?
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide has a molecular weight of 317.44 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 138044444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).