N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2-hydroxyphenyl)-1,3-thiazole-5-carboxamide

C16H17N3O2S — CID 136638007

IUPACN-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2-hydroxyphenyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NC1CC2CCC1N2)c1cnc(-c2ccccc2O)s1
InChIInChI=1S/C16H17N3O2S/c20-13-4-2-1-3-10(13)16-17-8-14(22-16)15(21)19-12-7-9-5-6-11(12)18-9/h1-4,8-9,11-12,18,20H,5-7H2,(H,19,21)
InChIKeyQSRVWNFIYPTZPZ-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.14
Rot. Bonds3

About N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2-hydroxyphenyl)-1,3-thiazole-5-carboxamide

N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2-hydroxyphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 136638007) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2-hydroxyphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2-hydroxyphenyl)-1,3-thiazole-5-carboxamide
PubChem CID136638007
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2-hydroxyphenyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NC1CC2CCC1N2)c1cnc(-c2ccccc2O)s1
InChIInChI=1S/C16H17N3O2S/c20-13-4-2-1-3-10(13)16-17-8-14(22-16)15(21)19-12-7-9-5-6-11(12)18-9/h1-4,8-9,11-12,18,20H,5-7H2,(H,19,21)
InChIKeyQSRVWNFIYPTZPZ-UHFFFAOYSA-N
XLogP2.14
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2-hydroxyphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2-hydroxyphenyl)-1,3-thiazole-5-carboxamide (CID 136638007) is N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2-hydroxyphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2-hydroxyphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2-hydroxyphenyl)-1,3-thiazole-5-carboxamide is O=C(NC1CC2CCC1N2)c1cnc(-c2ccccc2O)s1.
What is the InChIKey of N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2-hydroxyphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is QSRVWNFIYPTZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c20-13-4-2-1-3-10(13)16-17-8-14(22-16)15(21)19-12-7-9-5-6-11(12)18-9/h1-4,8-9,11-12,18,20H,5-7H2,(H,19,21).
What are the key properties of N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2-hydroxyphenyl)-1,3-thiazole-5-carboxamide?
N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2-hydroxyphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 2.14, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2-hydroxyphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 136638007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).