N-(4-chlorophenyl)-2-(pyridine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide

C19H16ClN5O2S — CID 90528624

IUPACN-(4-chlorophenyl)-2-(pyridine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(C(=O)Nc1ccc(Cl)cc1)CC2)c1ccccn1
InChIInChI=1S/C19H16ClN5O2S/c20-12-4-6-13(7-5-12)22-19(27)25-10-8-14-16(11-25)28-18(23-14)24-17(26)15-3-1-2-9-21-15/h1-7,9H,8,10-11H2,(H,22,27)(H,23,24,26)
InChIKeyTXCIKPPZEMFLIE-UHFFFAOYSA-N
MW413.89 g/mol
LogP4.03
Rot. Bonds3

About N-(4-chlorophenyl)-2-(pyridine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide

N-(4-chlorophenyl)-2-(pyridine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (PubChem CID 90528624) has the molecular formula C19H16ClN5O2S and a molecular weight of 413.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(pyridine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(pyridine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
PubChem CID90528624
Molecular FormulaC19H16ClN5O2S
Molecular Weight413.89 g/mol
Exact Mass413.07
IUPAC NameN-(4-chlorophenyl)-2-(pyridine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(C(=O)Nc1ccc(Cl)cc1)CC2)c1ccccn1
InChIInChI=1S/C19H16ClN5O2S/c20-12-4-6-13(7-5-12)22-19(27)25-10-8-14-16(11-25)28-18(23-14)24-17(26)15-3-1-2-9-21-15/h1-7,9H,8,10-11H2,(H,22,27)(H,23,24,26)
InChIKeyTXCIKPPZEMFLIE-UHFFFAOYSA-N
XLogP4.03
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.89
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(pyridine-2-carbonylamino)-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90528650
N-(3,4-dimethoxyphenyl)-2-(pyridine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90528632
N-[5-(5-chloro-2-nitrobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
CID 90528359
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-[5-(2-propylpentanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
CID 90528299
methyl 4-[2-(pyridine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl]benzoate
CID 90528278
N-(2-fluorophenyl)-2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 71788084
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-(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
N-[5-[2-(2-methoxyphenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
CID 90528380

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(pyridine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-(pyridine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (CID 90528624) is N-(4-chlorophenyl)-2-(pyridine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(pyridine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(pyridine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is O=C(Nc1nc2c(s1)CN(C(=O)Nc1ccc(Cl)cc1)CC2)c1ccccn1.
What is the InChIKey of N-(4-chlorophenyl)-2-(pyridine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The InChIKey is TXCIKPPZEMFLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O2S/c20-12-4-6-13(7-5-12)22-19(27)25-10-8-14-16(11-25)28-18(23-14)24-17(26)15-3-1-2-9-21-15/h1-7,9H,8,10-11H2,(H,22,27)(H,23,24,26).
What are the key properties of N-(4-chlorophenyl)-2-(pyridine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
N-(4-chlorophenyl)-2-(pyridine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide has a molecular weight of 413.89 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(pyridine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is sourced from PubChem (CID 90528624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).