7-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-oxo-1,4-thiazepane-4-carboxamide

C11H17N3O2S2 — CID 119050291

IUPAC7-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-oxo-1,4-thiazepane-4-carboxamide
SMILESCc1csc(NC(=O)N2CCC(C)S(=O)CC2)n1
InChIInChI=1S/C11H17N3O2S2/c1-8-7-17-10(12-8)13-11(15)14-4-3-9(2)18(16)6-5-14/h7,9H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyQKFPLDSCQAIHID-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.83
Rot. Bonds1

About 7-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-oxo-1,4-thiazepane-4-carboxamide

7-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-oxo-1,4-thiazepane-4-carboxamide (PubChem CID 119050291) has the molecular formula C11H17N3O2S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is 7-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-oxo-1,4-thiazepane-4-carboxamide.

Molecular Properties

Compound Name7-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-oxo-1,4-thiazepane-4-carboxamide
PubChem CID119050291
Molecular FormulaC11H17N3O2S2
Molecular Weight287.41 g/mol
Exact Mass287.08
IUPAC Name7-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-oxo-1,4-thiazepane-4-carboxamide
SMILESCc1csc(NC(=O)N2CCC(C)S(=O)CC2)n1
InChIInChI=1S/C11H17N3O2S2/c1-8-7-17-10(12-8)13-11(15)14-4-3-9(2)18(16)6-5-14/h7,9H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyQKFPLDSCQAIHID-UHFFFAOYSA-N
XLogP1.83
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-oxo-1,4-thiazepane-4-carboxamide?
The IUPAC name of 7-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-oxo-1,4-thiazepane-4-carboxamide (CID 119050291) is 7-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-oxo-1,4-thiazepane-4-carboxamide.
What is the SMILES notation for 7-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-oxo-1,4-thiazepane-4-carboxamide?
The canonical SMILES for 7-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-oxo-1,4-thiazepane-4-carboxamide is Cc1csc(NC(=O)N2CCC(C)S(=O)CC2)n1.
What is the InChIKey of 7-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-oxo-1,4-thiazepane-4-carboxamide?
The InChIKey is QKFPLDSCQAIHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S2/c1-8-7-17-10(12-8)13-11(15)14-4-3-9(2)18(16)6-5-14/h7,9H,3-6H2,1-2H3,(H,12,13,15).
What are the key properties of 7-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-oxo-1,4-thiazepane-4-carboxamide?
7-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-oxo-1,4-thiazepane-4-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-oxo-1,4-thiazepane-4-carboxamide is sourced from PubChem (CID 119050291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).