N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methoxybenzamide

C17H19N3O4S2 — CID 71788219

IUPACN-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)CC2
InChIInChI=1S/C17H19N3O4S2/c1-24-14-5-3-2-4-12(14)16(21)19-17-18-13-8-9-20(10-15(13)25-17)26(22,23)11-6-7-11/h2-5,11H,6-10H2,1H3,(H,18,19,21)
InChIKeyVQLMRGDCTBUDFV-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.25
Rot. Bonds5

About N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methoxybenzamide

N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methoxybenzamide (PubChem CID 71788219) has the molecular formula C17H19N3O4S2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methoxybenzamide
PubChem CID71788219
Molecular FormulaC17H19N3O4S2
Molecular Weight393.49 g/mol
Exact Mass393.08
IUPAC NameN-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)CC2
InChIInChI=1S/C17H19N3O4S2/c1-24-14-5-3-2-4-12(14)16(21)19-17-18-13-8-9-20(10-15(13)25-17)26(22,23)11-6-7-11/h2-5,11H,6-10H2,1H3,(H,18,19,21)
InChIKeyVQLMRGDCTBUDFV-UHFFFAOYSA-N
XLogP2.25
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methoxybenzamide?
The IUPAC name of N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methoxybenzamide (CID 71788219) is N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methoxybenzamide.
What is the SMILES notation for N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methoxybenzamide?
The canonical SMILES for N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methoxybenzamide is COc1ccccc1C(=O)Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)CC2.
What is the InChIKey of N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methoxybenzamide?
The InChIKey is VQLMRGDCTBUDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S2/c1-24-14-5-3-2-4-12(14)16(21)19-17-18-13-8-9-20(10-15(13)25-17)26(22,23)11-6-7-11/h2-5,11H,6-10H2,1H3,(H,18,19,21).
What are the key properties of N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methoxybenzamide?
N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methoxybenzamide has a molecular weight of 393.49 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methoxybenzamide is sourced from PubChem (CID 71788219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).