6-chloro-N,4-diethyl-3H-thieno[3,2-e][1,2,4]thiadiazine-2-carboxamide

C10H14ClN3OS2 — CID 91059259

IUPAC6-chloro-N,4-diethyl-3H-thieno[3,2-e][1,2,4]thiadiazine-2-carboxamide
SMILESCCNC(=O)N1CN(CC)c2cc(Cl)sc2S1
InChIInChI=1S/C10H14ClN3OS2/c1-3-12-10(15)14-6-13(4-2)7-5-8(11)16-9(7)17-14/h5H,3-4,6H2,1-2H3,(H,12,15)
InChIKeyPXBXRVSOPFKQCH-UHFFFAOYSA-N
MW291.83 g/mol
LogP3.24
Rot. Bonds2

About 6-chloro-N,4-diethyl-3H-thieno[3,2-e][1,2,4]thiadiazine-2-carboxamide

6-chloro-N,4-diethyl-3H-thieno[3,2-e][1,2,4]thiadiazine-2-carboxamide (PubChem CID 91059259) has the molecular formula C10H14ClN3OS2 and a molecular weight of 291.83 g/mol. Its IUPAC name is 6-chloro-N,4-diethyl-3H-thieno[3,2-e][1,2,4]thiadiazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N,4-diethyl-3H-thieno[3,2-e][1,2,4]thiadiazine-2-carboxamide
PubChem CID91059259
Molecular FormulaC10H14ClN3OS2
Molecular Weight291.83 g/mol
Exact Mass291.03
IUPAC Name6-chloro-N,4-diethyl-3H-thieno[3,2-e][1,2,4]thiadiazine-2-carboxamide
SMILESCCNC(=O)N1CN(CC)c2cc(Cl)sc2S1
InChIInChI=1S/C10H14ClN3OS2/c1-3-12-10(15)14-6-13(4-2)7-5-8(11)16-9(7)17-14/h5H,3-4,6H2,1-2H3,(H,12,15)
InChIKeyPXBXRVSOPFKQCH-UHFFFAOYSA-N
XLogP3.24
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,4-diethyl-3H-thieno[3,2-e][1,2,4]thiadiazine-2-carboxamide?
The IUPAC name of 6-chloro-N,4-diethyl-3H-thieno[3,2-e][1,2,4]thiadiazine-2-carboxamide (CID 91059259) is 6-chloro-N,4-diethyl-3H-thieno[3,2-e][1,2,4]thiadiazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N,4-diethyl-3H-thieno[3,2-e][1,2,4]thiadiazine-2-carboxamide?
The canonical SMILES for 6-chloro-N,4-diethyl-3H-thieno[3,2-e][1,2,4]thiadiazine-2-carboxamide is CCNC(=O)N1CN(CC)c2cc(Cl)sc2S1.
What is the InChIKey of 6-chloro-N,4-diethyl-3H-thieno[3,2-e][1,2,4]thiadiazine-2-carboxamide?
The InChIKey is PXBXRVSOPFKQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3OS2/c1-3-12-10(15)14-6-13(4-2)7-5-8(11)16-9(7)17-14/h5H,3-4,6H2,1-2H3,(H,12,15).
What are the key properties of 6-chloro-N,4-diethyl-3H-thieno[3,2-e][1,2,4]thiadiazine-2-carboxamide?
6-chloro-N,4-diethyl-3H-thieno[3,2-e][1,2,4]thiadiazine-2-carboxamide has a molecular weight of 291.83 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,4-diethyl-3H-thieno[3,2-e][1,2,4]thiadiazine-2-carboxamide is sourced from PubChem (CID 91059259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).