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

C19H18N4O4S2 — CID 71788226

IUPACN-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)CC2)c1cc(-c2ccccc2)on1
InChIInChI=1S/C19H18N4O4S2/c24-18(15-10-16(27-22-15)12-4-2-1-3-5-12)21-19-20-14-8-9-23(11-17(14)28-19)29(25,26)13-6-7-13/h1-5,10,13H,6-9,11H2,(H,20,21,24)
InChIKeyFZGQNFWSNSLLOF-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.90
Rot. Bonds5

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

N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 71788226) has the molecular formula C19H18N4O4S2 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID71788226
Molecular FormulaC19H18N4O4S2
Molecular Weight430.51 g/mol
Exact Mass430.08
IUPAC NameN-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)CC2)c1cc(-c2ccccc2)on1
InChIInChI=1S/C19H18N4O4S2/c24-18(15-10-16(27-22-15)12-4-2-1-3-5-12)21-19-20-14-8-9-23(11-17(14)28-19)29(25,26)13-6-7-13/h1-5,10,13H,6-9,11H2,(H,20,21,24)
InChIKeyFZGQNFWSNSLLOF-UHFFFAOYSA-N
XLogP2.90
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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)-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide (CID 71788226) is N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide is O=C(Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)CC2)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is FZGQNFWSNSLLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S2/c24-18(15-10-16(27-22-15)12-4-2-1-3-5-12)21-19-20-14-8-9-23(11-17(14)28-19)29(25,26)13-6-7-13/h1-5,10,13H,6-9,11H2,(H,20,21,24).
What are the key properties of N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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)-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71788226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).