2-(aminomethyl)-N-(5-bromo-1,3-thiazol-2-yl)-3-methylbutanamide

C9H14BrN3OS — CID 65229801

IUPAC2-(aminomethyl)-N-(5-bromo-1,3-thiazol-2-yl)-3-methylbutanamide
SMILESCC(C)C(CN)C(=O)Nc1ncc(Br)s1
InChIInChI=1S/C9H14BrN3OS/c1-5(2)6(3-11)8(14)13-9-12-4-7(10)15-9/h4-6H,3,11H2,1-2H3,(H,12,13,14)
InChIKeyCRCWQNQOYXTGBT-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.08
Rot. Bonds4

About 2-(aminomethyl)-N-(5-bromo-1,3-thiazol-2-yl)-3-methylbutanamide

2-(aminomethyl)-N-(5-bromo-1,3-thiazol-2-yl)-3-methylbutanamide (PubChem CID 65229801) has the molecular formula C9H14BrN3OS and a molecular weight of 292.20 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(5-bromo-1,3-thiazol-2-yl)-3-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(5-bromo-1,3-thiazol-2-yl)-3-methylbutanamide
PubChem CID65229801
Molecular FormulaC9H14BrN3OS
Molecular Weight292.20 g/mol
Exact Mass291.00
IUPAC Name2-(aminomethyl)-N-(5-bromo-1,3-thiazol-2-yl)-3-methylbutanamide
SMILESCC(C)C(CN)C(=O)Nc1ncc(Br)s1
InChIInChI=1S/C9H14BrN3OS/c1-5(2)6(3-11)8(14)13-9-12-4-7(10)15-9/h4-6H,3,11H2,1-2H3,(H,12,13,14)
InChIKeyCRCWQNQOYXTGBT-UHFFFAOYSA-N
XLogP2.08
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(5-bromo-1,3-thiazol-2-yl)-2-(methylamino)propanamide
CID 130563823
ethyl 2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3,3-dimethylbutanoate
CID 116537791
2-amino-N-(5-bromo-1,3-thiazol-2-yl)acetamide
CID 60785743
N-(5-bromo-1,3-thiazol-2-yl)-2-phenylbutanamide
CID 54917989
N-(5-bromo-1,3-thiazol-2-yl)propanamide
CID 60654828
(2R)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-phenylbutanamide
CID 87753715
N-(5-bromo-1,3-thiazol-2-yl)butanamide
CID 22170788
7-amino-N-(5-bromo-1,3-thiazol-2-yl)heptanamide
CID 60783690
N-(5-bromo-1,3-thiazol-2-yl)but-2-enamide
CID 76880215
methyl 2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoacetate
CID 53352081
N-(5-bromo-1,3-thiazol-2-yl)-2,2-dicyclohexylacetamide
CID 118104957
2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-3-methylbutanamide
CID 65226103

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(5-bromo-1,3-thiazol-2-yl)-3-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-(5-bromo-1,3-thiazol-2-yl)-3-methylbutanamide (CID 65229801) is 2-(aminomethyl)-N-(5-bromo-1,3-thiazol-2-yl)-3-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(5-bromo-1,3-thiazol-2-yl)-3-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-(5-bromo-1,3-thiazol-2-yl)-3-methylbutanamide is CC(C)C(CN)C(=O)Nc1ncc(Br)s1.
What is the InChIKey of 2-(aminomethyl)-N-(5-bromo-1,3-thiazol-2-yl)-3-methylbutanamide?
The InChIKey is CRCWQNQOYXTGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3OS/c1-5(2)6(3-11)8(14)13-9-12-4-7(10)15-9/h4-6H,3,11H2,1-2H3,(H,12,13,14).
What are the key properties of 2-(aminomethyl)-N-(5-bromo-1,3-thiazol-2-yl)-3-methylbutanamide?
2-(aminomethyl)-N-(5-bromo-1,3-thiazol-2-yl)-3-methylbutanamide has a molecular weight of 292.20 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(5-bromo-1,3-thiazol-2-yl)-3-methylbutanamide is sourced from PubChem (CID 65229801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).