5-[(5-bromo-2-chloroanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine

C13H15BrClN3OS — CID 62915754

IUPAC5-[(5-bromo-2-chloroanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCOc1nc(N(C)C)sc1CNc1cc(Br)ccc1Cl
InChIInChI=1S/C13H15BrClN3OS/c1-18(2)13-17-12(19-3)11(20-13)7-16-10-6-8(14)4-5-9(10)15/h4-6,16H,7H2,1-3H3
InChIKeyVZBACFROJTXXTL-UHFFFAOYSA-N
MW376.71 g/mol
LogP4.25
Rot. Bonds5

About 5-[(5-bromo-2-chloroanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine

5-[(5-bromo-2-chloroanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine (PubChem CID 62915754) has the molecular formula C13H15BrClN3OS and a molecular weight of 376.71 g/mol. Its IUPAC name is 5-[(5-bromo-2-chloroanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(5-bromo-2-chloroanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
PubChem CID62915754
Molecular FormulaC13H15BrClN3OS
Molecular Weight376.71 g/mol
Exact Mass374.98
IUPAC Name5-[(5-bromo-2-chloroanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCOc1nc(N(C)C)sc1CNc1cc(Br)ccc1Cl
InChIInChI=1S/C13H15BrClN3OS/c1-18(2)13-17-12(19-3)11(20-13)7-16-10-6-8(14)4-5-9(10)15/h4-6,16H,7H2,1-3H3
InChIKeyVZBACFROJTXXTL-UHFFFAOYSA-N
XLogP4.25
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.71
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2-chloroanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(5-bromo-2-chloroanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine (CID 62915754) is 5-[(5-bromo-2-chloroanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(5-bromo-2-chloroanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(5-bromo-2-chloroanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine is COc1nc(N(C)C)sc1CNc1cc(Br)ccc1Cl.
What is the InChIKey of 5-[(5-bromo-2-chloroanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine?
The InChIKey is VZBACFROJTXXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClN3OS/c1-18(2)13-17-12(19-3)11(20-13)7-16-10-6-8(14)4-5-9(10)15/h4-6,16H,7H2,1-3H3.
What are the key properties of 5-[(5-bromo-2-chloroanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine?
5-[(5-bromo-2-chloroanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine has a molecular weight of 376.71 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2-chloroanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62915754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).