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

C11H16ClN3OS2 — CID 91308335

IUPAC6-chloro-N-ethyl-4-propan-2-yl-3H-thieno[3,2-e][1,2,4]thiadiazine-2-carboxamide
SMILESCCNC(=O)N1CN(C(C)C)c2cc(Cl)sc2S1
InChIInChI=1S/C11H16ClN3OS2/c1-4-13-11(16)15-6-14(7(2)3)8-5-9(12)17-10(8)18-15/h5,7H,4,6H2,1-3H3,(H,13,16)
InChIKeyILMAMGWJBYIRAN-UHFFFAOYSA-N
MW305.86 g/mol
LogP3.63
Rot. Bonds2

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

6-chloro-N-ethyl-4-propan-2-yl-3H-thieno[3,2-e][1,2,4]thiadiazine-2-carboxamide (PubChem CID 91308335) has the molecular formula C11H16ClN3OS2 and a molecular weight of 305.86 g/mol. Its IUPAC name is 6-chloro-N-ethyl-4-propan-2-yl-3H-thieno[3,2-e][1,2,4]thiadiazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-ethyl-4-propan-2-yl-3H-thieno[3,2-e][1,2,4]thiadiazine-2-carboxamide
PubChem CID91308335
Molecular FormulaC11H16ClN3OS2
Molecular Weight305.86 g/mol
Exact Mass305.04
IUPAC Name6-chloro-N-ethyl-4-propan-2-yl-3H-thieno[3,2-e][1,2,4]thiadiazine-2-carboxamide
SMILESCCNC(=O)N1CN(C(C)C)c2cc(Cl)sc2S1
InChIInChI=1S/C11H16ClN3OS2/c1-4-13-11(16)15-6-14(7(2)3)8-5-9(12)17-10(8)18-15/h5,7H,4,6H2,1-3H3,(H,13,16)
InChIKeyILMAMGWJBYIRAN-UHFFFAOYSA-N
XLogP3.63
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.86
LogP ≤ 53.63
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-ethyl-4-propan-2-yl-3H-thieno[3,2-e][1,2,4]thiadiazine-2-carboxamide?
The IUPAC name of 6-chloro-N-ethyl-4-propan-2-yl-3H-thieno[3,2-e][1,2,4]thiadiazine-2-carboxamide (CID 91308335) is 6-chloro-N-ethyl-4-propan-2-yl-3H-thieno[3,2-e][1,2,4]thiadiazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-ethyl-4-propan-2-yl-3H-thieno[3,2-e][1,2,4]thiadiazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-ethyl-4-propan-2-yl-3H-thieno[3,2-e][1,2,4]thiadiazine-2-carboxamide is CCNC(=O)N1CN(C(C)C)c2cc(Cl)sc2S1.
What is the InChIKey of 6-chloro-N-ethyl-4-propan-2-yl-3H-thieno[3,2-e][1,2,4]thiadiazine-2-carboxamide?
The InChIKey is ILMAMGWJBYIRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3OS2/c1-4-13-11(16)15-6-14(7(2)3)8-5-9(12)17-10(8)18-15/h5,7H,4,6H2,1-3H3,(H,13,16).
What are the key properties of 6-chloro-N-ethyl-4-propan-2-yl-3H-thieno[3,2-e][1,2,4]thiadiazine-2-carboxamide?
6-chloro-N-ethyl-4-propan-2-yl-3H-thieno[3,2-e][1,2,4]thiadiazine-2-carboxamide has a molecular weight of 305.86 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-4-propan-2-yl-3H-thieno[3,2-e][1,2,4]thiadiazine-2-carboxamide is sourced from PubChem (CID 91308335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).