N-[5-(5-chloro-2-nitrobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide

C19H14ClN5O4S — CID 90528359

IUPACN-[5-(5-chloro-2-nitrobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])CC2)c1ccccn1
InChIInChI=1S/C19H14ClN5O4S/c20-11-4-5-15(25(28)29)12(9-11)18(27)24-8-6-13-16(10-24)30-19(22-13)23-17(26)14-3-1-2-7-21-14/h1-5,7,9H,6,8,10H2,(H,22,23,26)
InChIKeyCBRHCDSEADGNIG-UHFFFAOYSA-N
MW443.87 g/mol
LogP3.55
Rot. Bonds4

About N-[5-(5-chloro-2-nitrobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide

N-[5-(5-chloro-2-nitrobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide (PubChem CID 90528359) has the molecular formula C19H14ClN5O4S and a molecular weight of 443.87 g/mol. Its IUPAC name is N-[5-(5-chloro-2-nitrobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(5-chloro-2-nitrobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
PubChem CID90528359
Molecular FormulaC19H14ClN5O4S
Molecular Weight443.87 g/mol
Exact Mass443.05
IUPAC NameN-[5-(5-chloro-2-nitrobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])CC2)c1ccccn1
InChIInChI=1S/C19H14ClN5O4S/c20-11-4-5-15(25(28)29)12(9-11)18(27)24-8-6-13-16(10-24)30-19(22-13)23-17(26)14-3-1-2-7-21-14/h1-5,7,9H,6,8,10H2,(H,22,23,26)
InChIKeyCBRHCDSEADGNIG-UHFFFAOYSA-N
XLogP3.55
TPSA118.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.87
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[5-(5-bromo-2-chlorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
CID 90528352
N-(4-chlorophenyl)-2-(pyridine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90528624
N-[5-(4,5-dimethoxy-2-nitrobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527485
N-[5-(3-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
CID 90528338
N-[5-(5-phenyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
CID 90528442
methyl 4-[2-(pyridine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl]benzoate
CID 90528278
N-[5-(pyridine-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 90526584
N-[5-(4-cyanobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
CID 90528466
N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-methyl-3,5-dinitrobenzamide
CID 108725692
N-[5-(5-chloro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
CID 90528706
N-[5-[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
CID 90528473
2-(pyridine-2-carbonylamino)-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90528650

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chloro-2-nitrobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[5-(5-chloro-2-nitrobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide (CID 90528359) is N-[5-(5-chloro-2-nitrobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[5-(5-chloro-2-nitrobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[5-(5-chloro-2-nitrobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide is O=C(Nc1nc2c(s1)CN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])CC2)c1ccccn1.
What is the InChIKey of N-[5-(5-chloro-2-nitrobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide?
The InChIKey is CBRHCDSEADGNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O4S/c20-11-4-5-15(25(28)29)12(9-11)18(27)24-8-6-13-16(10-24)30-19(22-13)23-17(26)14-3-1-2-7-21-14/h1-5,7,9H,6,8,10H2,(H,22,23,26).
What are the key properties of N-[5-(5-chloro-2-nitrobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide?
N-[5-(5-chloro-2-nitrobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide has a molecular weight of 443.87 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-chloro-2-nitrobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 90528359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).