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

C16H16BrN3OS — CID 18534894

IUPACN-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(3-bromophenyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NC1CC2CCC1N2)c1cnc(-c2cccc(Br)c2)s1
InChIInChI=1S/C16H16BrN3OS/c17-10-3-1-2-9(6-10)16-18-8-14(22-16)15(21)20-13-7-11-4-5-12(13)19-11/h1-3,6,8,11-13,19H,4-5,7H2,(H,20,21)
InChIKeyNWPKMKRXVVFMFV-UHFFFAOYSA-N
MW378.30 g/mol
LogP3.20
Rot. Bonds3

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

N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(3-bromophenyl)-1,3-thiazole-5-carboxamide (PubChem CID 18534894) has the molecular formula C16H16BrN3OS and a molecular weight of 378.30 g/mol. Its IUPAC name is N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(3-bromophenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(3-bromophenyl)-1,3-thiazole-5-carboxamide
PubChem CID18534894
Molecular FormulaC16H16BrN3OS
Molecular Weight378.30 g/mol
Exact Mass377.02
IUPAC NameN-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(3-bromophenyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NC1CC2CCC1N2)c1cnc(-c2cccc(Br)c2)s1
InChIInChI=1S/C16H16BrN3OS/c17-10-3-1-2-9(6-10)16-18-8-14(22-16)15(21)20-13-7-11-4-5-12(13)19-11/h1-3,6,8,11-13,19H,4-5,7H2,(H,20,21)
InChIKeyNWPKMKRXVVFMFV-UHFFFAOYSA-N
XLogP3.20
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(3-bromophenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(3-bromophenyl)-1,3-thiazole-5-carboxamide (CID 18534894) is N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(3-bromophenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(3-bromophenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(3-bromophenyl)-1,3-thiazole-5-carboxamide is O=C(NC1CC2CCC1N2)c1cnc(-c2cccc(Br)c2)s1.
What is the InChIKey of N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(3-bromophenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is NWPKMKRXVVFMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3OS/c17-10-3-1-2-9(6-10)16-18-8-14(22-16)15(21)20-13-7-11-4-5-12(13)19-11/h1-3,6,8,11-13,19H,4-5,7H2,(H,20,21).
What are the key properties of N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(3-bromophenyl)-1,3-thiazole-5-carboxamide?
N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(3-bromophenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 378.30 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(3-bromophenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 18534894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).