2-amino-N-(6-bromonaphthalen-2-yl)-1,3-thiazole-4-carboxamide

C14H10BrN3OS — CID 81259724

IUPAC2-amino-N-(6-bromonaphthalen-2-yl)-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2ccc3cc(Br)ccc3c2)cs1
InChIInChI=1S/C14H10BrN3OS/c15-10-3-1-9-6-11(4-2-8(9)5-10)17-13(19)12-7-20-14(16)18-12/h1-7H,(H2,16,18)(H,17,19)
InChIKeyVACMWFKPBONZHY-UHFFFAOYSA-N
MW348.23 g/mol
LogP3.89
Rot. Bonds2

About 2-amino-N-(6-bromonaphthalen-2-yl)-1,3-thiazole-4-carboxamide

2-amino-N-(6-bromonaphthalen-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 81259724) has the molecular formula C14H10BrN3OS and a molecular weight of 348.23 g/mol. Its IUPAC name is 2-amino-N-(6-bromonaphthalen-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(6-bromonaphthalen-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID81259724
Molecular FormulaC14H10BrN3OS
Molecular Weight348.23 g/mol
Exact Mass346.97
IUPAC Name2-amino-N-(6-bromonaphthalen-2-yl)-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2ccc3cc(Br)ccc3c2)cs1
InChIInChI=1S/C14H10BrN3OS/c15-10-3-1-9-6-11(4-2-8(9)5-10)17-13(19)12-7-20-14(16)18-12/h1-7H,(H2,16,18)(H,17,19)
InChIKeyVACMWFKPBONZHY-UHFFFAOYSA-N
XLogP3.89
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2,4,6-tribromophenyl)-1,3-thiazole-4-carboxamide
CID 62786642
2-amino-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 62788368
2-amino-N-(4-chloro-3-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 62787524
2-amino-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 55119460
2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788227
2-amino-N-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carboxamide
CID 62787318
2-amino-N-(4-bromo-2-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 62789270
2-amino-N-(2,6-dibromo-4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 114209117
N-(4-acetylphenyl)-2-amino-1,3-thiazole-4-carboxamide
CID 62787747
2-amino-N-(4-bromo-2,6-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 55116387
2-amino-N-(4-bromo-2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 55116293
2-amino-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788909

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(6-bromonaphthalen-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-(6-bromonaphthalen-2-yl)-1,3-thiazole-4-carboxamide (CID 81259724) is 2-amino-N-(6-bromonaphthalen-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-(6-bromonaphthalen-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-(6-bromonaphthalen-2-yl)-1,3-thiazole-4-carboxamide is Nc1nc(C(=O)Nc2ccc3cc(Br)ccc3c2)cs1.
What is the InChIKey of 2-amino-N-(6-bromonaphthalen-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is VACMWFKPBONZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3OS/c15-10-3-1-9-6-11(4-2-8(9)5-10)17-13(19)12-7-20-14(16)18-12/h1-7H,(H2,16,18)(H,17,19).
What are the key properties of 2-amino-N-(6-bromonaphthalen-2-yl)-1,3-thiazole-4-carboxamide?
2-amino-N-(6-bromonaphthalen-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 348.23 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(6-bromonaphthalen-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 81259724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).