7-amino-N-(5-bromo-1,3-thiazol-2-yl)heptanamide

C10H16BrN3OS — CID 60783690

IUPAC7-amino-N-(5-bromo-1,3-thiazol-2-yl)heptanamide
SMILESNCCCCCCC(=O)Nc1ncc(Br)s1
InChIInChI=1S/C10H16BrN3OS/c11-8-7-13-10(16-8)14-9(15)5-3-1-2-4-6-12/h7H,1-6,12H2,(H,13,14,15)
InChIKeyZWJQBITTZBVDPC-UHFFFAOYSA-N
MW306.23 g/mol
LogP2.75
Rot. Bonds7

About 7-amino-N-(5-bromo-1,3-thiazol-2-yl)heptanamide

7-amino-N-(5-bromo-1,3-thiazol-2-yl)heptanamide (PubChem CID 60783690) has the molecular formula C10H16BrN3OS and a molecular weight of 306.23 g/mol. Its IUPAC name is 7-amino-N-(5-bromo-1,3-thiazol-2-yl)heptanamide.

Molecular Properties

Compound Name7-amino-N-(5-bromo-1,3-thiazol-2-yl)heptanamide
PubChem CID60783690
Molecular FormulaC10H16BrN3OS
Molecular Weight306.23 g/mol
Exact Mass305.02
IUPAC Name7-amino-N-(5-bromo-1,3-thiazol-2-yl)heptanamide
SMILESNCCCCCCC(=O)Nc1ncc(Br)s1
InChIInChI=1S/C10H16BrN3OS/c11-8-7-13-10(16-8)14-9(15)5-3-1-2-4-6-12/h7H,1-6,12H2,(H,13,14,15)
InChIKeyZWJQBITTZBVDPC-UHFFFAOYSA-N
XLogP2.75
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-amino-N-(5-bromo-1,3-thiazol-2-yl)heptanamide 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

N-(5-bromo-1,3-thiazol-2-yl)butanamide
CID 22170788
N-(5-bromo-1,3-thiazol-2-yl)propanamide
CID 60654828
7-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]heptanamide
CID 119719234
N-(5-bromo-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79260824
4-amino-N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]butanamide
CID 119295773
N-(5-bromo-1,3-thiazol-2-yl)but-2-enamide
CID 76880215
7-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)heptanamide
CID 119855706
2-(aminomethyl)-N-(5-bromo-1,3-thiazol-2-yl)-3-methylbutanamide
CID 65229801
7-amino-N-(4-bromophenyl)heptanamide;hydrochloride
CID 119670334
N-(5-bromo-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 22170781
1-[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 54919633
4-amino-N-(1,3-thiazol-2-yl)butanamide;hydrochloride
CID 168719847

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(5-bromo-1,3-thiazol-2-yl)heptanamide?
The IUPAC name of 7-amino-N-(5-bromo-1,3-thiazol-2-yl)heptanamide (CID 60783690) is 7-amino-N-(5-bromo-1,3-thiazol-2-yl)heptanamide.
What is the SMILES notation for 7-amino-N-(5-bromo-1,3-thiazol-2-yl)heptanamide?
The canonical SMILES for 7-amino-N-(5-bromo-1,3-thiazol-2-yl)heptanamide is NCCCCCCC(=O)Nc1ncc(Br)s1.
What is the InChIKey of 7-amino-N-(5-bromo-1,3-thiazol-2-yl)heptanamide?
The InChIKey is ZWJQBITTZBVDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3OS/c11-8-7-13-10(16-8)14-9(15)5-3-1-2-4-6-12/h7H,1-6,12H2,(H,13,14,15).
What are the key properties of 7-amino-N-(5-bromo-1,3-thiazol-2-yl)heptanamide?
7-amino-N-(5-bromo-1,3-thiazol-2-yl)heptanamide has a molecular weight of 306.23 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(5-bromo-1,3-thiazol-2-yl)heptanamide is sourced from PubChem (CID 60783690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).