N-(5-cinnolin-6-yl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide

C18H18N4O2S — CID 176646504

IUPACN-(5-cinnolin-6-yl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide
SMILESO=C(CC1CCOCC1)Nc1ncc(-c2ccc3nnccc3c2)s1
InChIInChI=1S/C18H18N4O2S/c23-17(9-12-4-7-24-8-5-12)21-18-19-11-16(25-18)14-1-2-15-13(10-14)3-6-20-22-15/h1-3,6,10-12H,4-5,7-9H2,(H,19,21,23)
InChIKeyMMBFAWXEHIAVED-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.51
Rot. Bonds4

About N-(5-cinnolin-6-yl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide

N-(5-cinnolin-6-yl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide (PubChem CID 176646504) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-(5-cinnolin-6-yl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-cinnolin-6-yl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide
PubChem CID176646504
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-(5-cinnolin-6-yl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide
SMILESO=C(CC1CCOCC1)Nc1ncc(-c2ccc3nnccc3c2)s1
InChIInChI=1S/C18H18N4O2S/c23-17(9-12-4-7-24-8-5-12)21-18-19-11-16(25-18)14-1-2-15-13(10-14)3-6-20-22-15/h1-3,6,10-12H,4-5,7-9H2,(H,19,21,23)
InChIKeyMMBFAWXEHIAVED-UHFFFAOYSA-N
XLogP3.51
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-cinnolin-6-yl-1,3-thiazol-2-yl)-2,4,6-trimethyloxane-4-carboxamide
CID 168925241
N-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)oxane-4-carboxamide
CID 168925799
(3R)-N-[5-(3-chloroisoquinolin-6-yl)-1,3-thiazol-2-yl]oxolane-3-carboxamide
CID 168925210
N-(5-bromo-2-pyridinyl)-2-(oxan-4-yl)acetamide
CID 115274048
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[5-(3-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 138017082
N-[5-(4-cyano-3-propan-2-ylphenyl)-1,3-thiazol-2-yl]oxane-4-carboxamide
CID 168925758
2-(cyclopropylmethylamino)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
CID 119720410
N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-3-pyrimidin-2-ylpropanamide
CID 167829767
N-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)quinoline-3-carboxamide
CID 168925353
2-(cyclopropylmethylamino)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119720409
2-cyclohexyl-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)acetamide
CID 43989525
N-[5-(2-methylquinazolin-7-yl)-1,3-thiazol-2-yl]morpholine-4-carboxamide
CID 168925795

Frequently Asked Questions

What is the IUPAC name of N-(5-cinnolin-6-yl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide?
The IUPAC name of N-(5-cinnolin-6-yl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide (CID 176646504) is N-(5-cinnolin-6-yl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-(5-cinnolin-6-yl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-(5-cinnolin-6-yl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide is O=C(CC1CCOCC1)Nc1ncc(-c2ccc3nnccc3c2)s1.
What is the InChIKey of N-(5-cinnolin-6-yl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide?
The InChIKey is MMBFAWXEHIAVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c23-17(9-12-4-7-24-8-5-12)21-18-19-11-16(25-18)14-1-2-15-13(10-14)3-6-20-22-15/h1-3,6,10-12H,4-5,7-9H2,(H,19,21,23).
What are the key properties of N-(5-cinnolin-6-yl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide?
N-(5-cinnolin-6-yl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide has a molecular weight of 354.44 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cinnolin-6-yl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 176646504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).