2-(1-methyltetrazol-5-yl)sulfanyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide

C13H19N7O3S3 — CID 90532637

IUPAC2-(1-methyltetrazol-5-yl)sulfanyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
SMILESCC(C)S(=O)(=O)N1CCc2nc(NC(=O)CSc3nnnn3C)sc2C1
InChIInChI=1S/C13H19N7O3S3/c1-8(2)26(22,23)20-5-4-9-10(6-20)25-12(14-9)15-11(21)7-24-13-16-17-18-19(13)3/h8H,4-7H2,1-3H3,(H,14,15,21)
InChIKeyMFXUIXCPCOLTNP-UHFFFAOYSA-N
MW417.54 g/mol
LogP0.49
Rot. Bonds6

About 2-(1-methyltetrazol-5-yl)sulfanyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide

2-(1-methyltetrazol-5-yl)sulfanyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide (PubChem CID 90532637) has the molecular formula C13H19N7O3S3 and a molecular weight of 417.54 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)sulfanyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)sulfanyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
PubChem CID90532637
Molecular FormulaC13H19N7O3S3
Molecular Weight417.54 g/mol
Exact Mass417.07
IUPAC Name2-(1-methyltetrazol-5-yl)sulfanyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
SMILESCC(C)S(=O)(=O)N1CCc2nc(NC(=O)CSc3nnnn3C)sc2C1
InChIInChI=1S/C13H19N7O3S3/c1-8(2)26(22,23)20-5-4-9-10(6-20)25-12(14-9)15-11(21)7-24-13-16-17-18-19(13)3/h8H,4-7H2,1-3H3,(H,14,15,21)
InChIKeyMFXUIXCPCOLTNP-UHFFFAOYSA-N
XLogP0.49
TPSA122.97 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-(1-methyltetrazol-5-yl)sulfanyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide with MolForge

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Related Compounds

2-phenyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 90532758
2-cyclopentyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 90532688
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 90532632
2-(3-methoxyphenyl)-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 90532812
1-methylsulfonyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-4-carboxamide
CID 90532801
4-fluoro-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 90532715
N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazine-2-carboxamide
CID 90527746
4-cyano-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 90532820
1-(4-chlorophenyl)-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclopentane-1-carboxamide
CID 90532772
5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 71777898
2-(4-chlorophenoxy)-2-methyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
CID 90532745
2-methyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 90532797

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
The IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide (CID 90532637) is 2-(1-methyltetrazol-5-yl)sulfanyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide is CC(C)S(=O)(=O)N1CCc2nc(NC(=O)CSc3nnnn3C)sc2C1.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
The InChIKey is MFXUIXCPCOLTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O3S3/c1-8(2)26(22,23)20-5-4-9-10(6-20)25-12(14-9)15-11(21)7-24-13-16-17-18-19(13)3/h8H,4-7H2,1-3H3,(H,14,15,21).
What are the key properties of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
2-(1-methyltetrazol-5-yl)sulfanyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide has a molecular weight of 417.54 g/mol, XLogP of 0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide is sourced from PubChem (CID 90532637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).