5-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4-chloro-N-(6-ethyl-2-pyridinyl)thiophene-2-carboxamide

C18H21ClN4O2S2 — CID 126633655

IUPAC5-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4-chloro-N-(6-ethyl-2-pyridinyl)thiophene-2-carboxamide
SMILESCCc1cccc(NC(=O)c2cc(Cl)c(C3CS(=O)C(C)(C)C(N)=N3)s2)n1
InChIInChI=1S/C18H21ClN4O2S2/c1-4-10-6-5-7-14(21-10)23-16(24)13-8-11(19)15(26-13)12-9-27(25)18(2,3)17(20)22-12/h5-8,12H,4,9H2,1-3H3,(H2,20,22)(H,21,23,24)
InChIKeyXBPYCLCUTQDUFZ-UHFFFAOYSA-N
MW424.98 g/mol
LogP3.55
Rot. Bonds4

About 5-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4-chloro-N-(6-ethyl-2-pyridinyl)thiophene-2-carboxamide

5-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4-chloro-N-(6-ethyl-2-pyridinyl)thiophene-2-carboxamide (PubChem CID 126633655) has the molecular formula C18H21ClN4O2S2 and a molecular weight of 424.98 g/mol. Its IUPAC name is 5-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4-chloro-N-(6-ethyl-2-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4-chloro-N-(6-ethyl-2-pyridinyl)thiophene-2-carboxamide
PubChem CID126633655
Molecular FormulaC18H21ClN4O2S2
Molecular Weight424.98 g/mol
Exact Mass424.08
IUPAC Name5-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4-chloro-N-(6-ethyl-2-pyridinyl)thiophene-2-carboxamide
SMILESCCc1cccc(NC(=O)c2cc(Cl)c(C3CS(=O)C(C)(C)C(N)=N3)s2)n1
InChIInChI=1S/C18H21ClN4O2S2/c1-4-10-6-5-7-14(21-10)23-16(24)13-8-11(19)15(26-13)12-9-27(25)18(2,3)17(20)22-12/h5-8,12H,4,9H2,1-3H3,(H2,20,22)(H,21,23,24)
InChIKeyXBPYCLCUTQDUFZ-UHFFFAOYSA-N
XLogP3.55
TPSA97.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.98
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4-chloro-N-(6-ethyl-2-pyridinyl)thiophene-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

5-[(6S)-8-amino-4-oxo-4λ4-thia-7-azaspiro[2.5]oct-7-en-6-yl]-4-chloro-N-(6-fluoro-2-pyridinyl)thiophene-2-carboxamide;ethane
CID 144539010
5-[(4aR)-3-amino-2-methyl-1,1-dioxo-5,6,7,8a-tetrahydropyrano[3,2-e][1,2,4]thiadiazin-4a-yl]-4-chloro-N-(6-ethyl-2-pyridinyl)thiophene-2-carboxamide
CID 89036688
5-(3-amino-2-methyl-1,1-dioxo-5,7,8,8a-tetrahydropyrano[3,4-e][1,2,4]thiadiazin-4a-yl)-4-chloro-N-(6-ethyl-2-pyridinyl)thiophene-2-carboxamide
CID 78077550
1-N,3-N,5-N-tris(6-ethyl-2-pyridinyl)benzene-1,3,5-tricarboxamide
CID 11329889
4-chloro-5-ethyl-N-(6-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 130283556
5-(3-amino-2-methyl-1-oxo-6,7a-dihydro-5H-furo[3,2-e][1,2,4]thiadiazin-4a-yl)-4-chloro-N-(6-chloro-2-pyridinyl)thiophene-2-carboxamide
CID 130394849
5-(3-amino-2-methyl-6,7a-dihydro-5H-furo[3,2-e][1,2,4]thiadiazin-4a-yl)-4-chloro-N-(6-fluoro-2-pyridinyl)thiophene-2-carboxamide
CID 130395002
5-(3-amino-2-methyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-e][1,2,4]thiadiazin-4a-yl)-4-chloro-N-(6-chloro-2-pyridinyl)thiophene-2-carboxamide
CID 78078159
5-[(4aS)-3-amino-2-methyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-e][1,2,4]thiadiazin-4a-yl]-4-chloro-N-(6-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 71469015
N-(6-ethyl-2-pyridinyl)butanamide
CID 66596264
4-chloro-N-(6-fluoro-2-pyridinyl)-5-iodothiophene-2-carboxamide
CID 71278112
5-[(4aS)-3-amino-2-methyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-e][1,2,4]thiadiazin-4a-yl]-4-chloro-N-(6-methoxy-2-pyridinyl)thiophene-2-carboxamide
CID 71469016

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4-chloro-N-(6-ethyl-2-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of 5-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4-chloro-N-(6-ethyl-2-pyridinyl)thiophene-2-carboxamide (CID 126633655) is 5-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4-chloro-N-(6-ethyl-2-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4-chloro-N-(6-ethyl-2-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4-chloro-N-(6-ethyl-2-pyridinyl)thiophene-2-carboxamide is CCc1cccc(NC(=O)c2cc(Cl)c(C3CS(=O)C(C)(C)C(N)=N3)s2)n1.
What is the InChIKey of 5-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4-chloro-N-(6-ethyl-2-pyridinyl)thiophene-2-carboxamide?
The InChIKey is XBPYCLCUTQDUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2S2/c1-4-10-6-5-7-14(21-10)23-16(24)13-8-11(19)15(26-13)12-9-27(25)18(2,3)17(20)22-12/h5-8,12H,4,9H2,1-3H3,(H2,20,22)(H,21,23,24).
What are the key properties of 5-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4-chloro-N-(6-ethyl-2-pyridinyl)thiophene-2-carboxamide?
5-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4-chloro-N-(6-ethyl-2-pyridinyl)thiophene-2-carboxamide has a molecular weight of 424.98 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4-chloro-N-(6-ethyl-2-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 126633655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).