3-amino-6-bromo-N-[1-(1,3-thiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide

C14H12BrN3OS2 — CID 114907990

IUPAC3-amino-6-bromo-N-[1-(1,3-thiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide
SMILESCC(NC(=O)c1sc2cc(Br)ccc2c1N)c1nccs1
InChIInChI=1S/C14H12BrN3OS2/c1-7(14-17-4-5-20-14)18-13(19)12-11(16)9-3-2-8(15)6-10(9)21-12/h2-7H,16H2,1H3,(H,18,19)
InChIKeyPJVRGUBGZOFACE-UHFFFAOYSA-N
MW382.31 g/mol
LogP4.19
Rot. Bonds3

About 3-amino-6-bromo-N-[1-(1,3-thiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide

3-amino-6-bromo-N-[1-(1,3-thiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide (PubChem CID 114907990) has the molecular formula C14H12BrN3OS2 and a molecular weight of 382.31 g/mol. Its IUPAC name is 3-amino-6-bromo-N-[1-(1,3-thiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-bromo-N-[1-(1,3-thiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide
PubChem CID114907990
Molecular FormulaC14H12BrN3OS2
Molecular Weight382.31 g/mol
Exact Mass380.96
IUPAC Name3-amino-6-bromo-N-[1-(1,3-thiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide
SMILESCC(NC(=O)c1sc2cc(Br)ccc2c1N)c1nccs1
InChIInChI=1S/C14H12BrN3OS2/c1-7(14-17-4-5-20-14)18-13(19)12-11(16)9-3-2-8(15)6-10(9)21-12/h2-7H,16H2,1H3,(H,18,19)
InChIKeyPJVRGUBGZOFACE-UHFFFAOYSA-N
XLogP4.19
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.31
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-6-bromo-N-[1-(1,3-thiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-bromo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 79722891
3-amino-6-bromo-N-(3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide
CID 114907732
3-amino-7-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 107113171
2,4-dibromo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 103882791
3-amino-6-bromo-N-(4-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 114908078
3-amino-6-bromo-N-pent-4-en-2-yl-1-benzothiophene-2-carboxamide
CID 114908101
3-amino-6-bromo-N-hexan-3-yl-1-benzothiophene-2-carboxamide
CID 114907910
3-amino-5-bromo-N-(3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide
CID 114896388
3-amino-6-bromo-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-benzothiophene-2-carboxamide
CID 114907911
3-amino-6-bromo-N-cyclopropyl-1-benzothiophene-2-carboxamide
CID 114907665
3-amino-N-(2-amino-2-oxoethyl)-6-bromo-1-benzothiophene-2-carboxamide
CID 114907674
2-bromo-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 81004513

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-bromo-N-[1-(1,3-thiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-6-bromo-N-[1-(1,3-thiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide (CID 114907990) is 3-amino-6-bromo-N-[1-(1,3-thiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-6-bromo-N-[1-(1,3-thiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-6-bromo-N-[1-(1,3-thiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide is CC(NC(=O)c1sc2cc(Br)ccc2c1N)c1nccs1.
What is the InChIKey of 3-amino-6-bromo-N-[1-(1,3-thiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is PJVRGUBGZOFACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3OS2/c1-7(14-17-4-5-20-14)18-13(19)12-11(16)9-3-2-8(15)6-10(9)21-12/h2-7H,16H2,1H3,(H,18,19).
What are the key properties of 3-amino-6-bromo-N-[1-(1,3-thiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide?
3-amino-6-bromo-N-[1-(1,3-thiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 382.31 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-bromo-N-[1-(1,3-thiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 114907990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).