3-chloro-N-[hydroxy-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-4-methoxybenzamide

About 3-chloro-N-[hydroxy-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-4-methoxybenzamide

3-chloro-N-[hydroxy-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-4-methoxybenzamide (PubChem CID 123332971) has the molecular formula C23H23ClN4O4S and a molecular weight of 486.98 g/mol. Its IUPAC name is 3-chloro-N-[hydroxy-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-4-methoxybenzamide.

Molecular Properties

Compound Name	3-chloro-N-[hydroxy-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-4-methoxybenzamide
PubChem CID	123332971
Molecular Formula	C23H23ClN4O4S
Molecular Weight	486.98 g/mol
Exact Mass	486.11
IUPAC Name	3-chloro-N-[hydroxy-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-4-methoxybenzamide
SMILES	COc1ccc(C(=O)NC(O)c2cccc(C(=O)Nc3nc4c(s3)CN(C)CC4)c2)cc1Cl
InChI	InChI=1S/C23H23ClN4O4S/c1-28-9-8-17-19(12-28)33-23(25-17)27-22(31)14-5-3-4-13(10-14)20(29)26-21(30)15-6-7-18(32-2)16(24)11-15/h3-7,10-11,20,29H,8-9,12H2,1-2H3,(H,26,30)(H,25,27,31)
InChIKey	CSMYUKMXVRXNFW-UHFFFAOYSA-N
XLogP	3.47
TPSA	103.79 Å²
H-Bond Donors	3
H-Bond Acceptors	7
Rotatable Bonds	6
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.98
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[hydroxy-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-4-methoxybenzamide?

The IUPAC name of 3-chloro-N-[hydroxy-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-4-methoxybenzamide (CID 123332971) is 3-chloro-N-[hydroxy-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-4-methoxybenzamide.

What is the SMILES notation for 3-chloro-N-[hydroxy-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-4-methoxybenzamide?

The canonical SMILES for 3-chloro-N-[hydroxy-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-4-methoxybenzamide is COc1ccc(C(=O)NC(O)c2cccc(C(=O)Nc3nc4c(s3)CN(C)CC4)c2)cc1Cl.

What is the InChIKey of 3-chloro-N-[hydroxy-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-4-methoxybenzamide?

The InChIKey is CSMYUKMXVRXNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O4S/c1-28-9-8-17-19(12-28)33-23(25-17)27-22(31)14-5-3-4-13(10-14)20(29)26-21(30)15-6-7-18(32-2)16(24)11-15/h3-7,10-11,20,29H,8-9,12H2,1-2H3,(H,26,30)(H,25,27,31).

What are the key properties of 3-chloro-N-[hydroxy-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-4-methoxybenzamide?

3-chloro-N-[hydroxy-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-4-methoxybenzamide has a molecular weight of 486.98 g/mol, XLogP of 3.47, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[hydroxy-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-4-methoxybenzamide is sourced from PubChem (CID 123332971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).