2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide

C18H17N5O2S — CID 53367854

IUPAC2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1nc2c(cc1=O)CCCC2)Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C18H17N5O2S/c24-16(10-23-17(25)8-12-4-1-2-6-14(12)22-23)21-18-20-15(11-26-18)13-5-3-7-19-9-13/h3,5,7-9,11H,1-2,4,6,10H2,(H,20,21,24)
InChIKeyUDNPCIDIWNHJAH-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.28
Rot. Bonds4

About 2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide

2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 53367854) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
PubChem CID53367854
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC Name2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1nc2c(cc1=O)CCCC2)Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C18H17N5O2S/c24-16(10-23-17(25)8-12-4-1-2-6-14(12)22-23)21-18-20-15(11-26-18)13-5-3-7-19-9-13/h3,5,7-9,11H,1-2,4,6,10H2,(H,20,21,24)
InChIKeyUDNPCIDIWNHJAH-UHFFFAOYSA-N
XLogP2.28
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-tert-butylsulfanyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 35874851
4-amino-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide
CID 110460819
3-phenyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 4801066
2-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 4800365
methyl 5-methyl-2-[[2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetyl]amino]-1,3-thiazole-4-carboxylate
CID 71827873
N-(2-ethylphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)acetamide
CID 22425572
2-(2,4-dimethylphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 18581453
2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 55585663
N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 134044739
2-(3,5-dimethylpyrazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 800348
3-phenoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110441097
2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-(1-phenylethyl)acetamide
CID 75465727

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide (CID 53367854) is 2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide is O=C(Cn1nc2c(cc1=O)CCCC2)Nc1nc(-c2cccnc2)cs1.
What is the InChIKey of 2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is UDNPCIDIWNHJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c24-16(10-23-17(25)8-12-4-1-2-6-14(12)22-23)21-18-20-15(11-26-18)13-5-3-7-19-9-13/h3,5,7-9,11H,1-2,4,6,10H2,(H,20,21,24).
What are the key properties of 2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide?
2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 367.43 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 53367854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).