N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-(2-methoxyphenyl)pyridine-4-carboxamide

C18H12ClN5O2S — CID 168984844

IUPACN-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-(2-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccccc1-c1cnccc1C(=O)Nc1nc2cnc(Cl)nc2s1
InChIInChI=1S/C18H12ClN5O2S/c1-26-14-5-3-2-4-10(14)12-8-20-7-6-11(12)15(25)23-18-22-13-9-21-17(19)24-16(13)27-18/h2-9H,1H3,(H,22,23,25)
InChIKeyKTZZFPXKEUCKJB-UHFFFAOYSA-N
MW397.85 g/mol
LogP4.06
Rot. Bonds4

About N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-(2-methoxyphenyl)pyridine-4-carboxamide

N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-(2-methoxyphenyl)pyridine-4-carboxamide (PubChem CID 168984844) has the molecular formula C18H12ClN5O2S and a molecular weight of 397.85 g/mol. Its IUPAC name is N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-(2-methoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-(2-methoxyphenyl)pyridine-4-carboxamide
PubChem CID168984844
Molecular FormulaC18H12ClN5O2S
Molecular Weight397.85 g/mol
Exact Mass397.04
IUPAC NameN-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-(2-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccccc1-c1cnccc1C(=O)Nc1nc2cnc(Cl)nc2s1
InChIInChI=1S/C18H12ClN5O2S/c1-26-14-5-3-2-4-10(14)12-8-20-7-6-11(12)15(25)23-18-22-13-9-21-17(19)24-16(13)27-18/h2-9H,1H3,(H,22,23,25)
InChIKeyKTZZFPXKEUCKJB-UHFFFAOYSA-N
XLogP4.06
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.85
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide
CID 155353937
3-(2-methoxyphenyl)-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
CID 176555695
N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide;ethane
CID 176555684
3-(2-methoxyphenyl)-N-[5-[(3-methylphenyl)methoxy]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
CID 155733083
N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)acetamide
CID 58357227
N-[5-[(4-cyanophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide
CID 175679881
(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamic acid
CID 123964903
N-[5-[3-[(3E)-hexa-1,3,5-trien-3-yl]oxyprop-1-ynyl]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide
CID 176555687
N-(1,3-benzothiazol-2-yl)-2-chloro-4,5-dimethoxybenzamide
CID 54516374
N-[6-(4-chlorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-5-(2-methoxyphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide
CID 177108921
2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 803477
2-(2-chloro-5-methoxy-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)benzamide
CID 166163292

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-(2-methoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-(2-methoxyphenyl)pyridine-4-carboxamide (CID 168984844) is N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-(2-methoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-(2-methoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-(2-methoxyphenyl)pyridine-4-carboxamide is COc1ccccc1-c1cnccc1C(=O)Nc1nc2cnc(Cl)nc2s1.
What is the InChIKey of N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-(2-methoxyphenyl)pyridine-4-carboxamide?
The InChIKey is KTZZFPXKEUCKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN5O2S/c1-26-14-5-3-2-4-10(14)12-8-20-7-6-11(12)15(25)23-18-22-13-9-21-17(19)24-16(13)27-18/h2-9H,1H3,(H,22,23,25).
What are the key properties of N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-(2-methoxyphenyl)pyridine-4-carboxamide?
N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-(2-methoxyphenyl)pyridine-4-carboxamide has a molecular weight of 397.85 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-(2-methoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 168984844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).