N-[(2-bromo-5-chlorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine

C14H16BrClN2S — CID 66156268

IUPACN-[(2-bromo-5-chlorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCc1csc(C(NC(C)C)c2cc(Cl)ccc2Br)n1
InChIInChI=1S/C14H16BrClN2S/c1-8(2)17-13(14-18-9(3)7-19-14)11-6-10(16)4-5-12(11)15/h4-8,13,17H,1-3H3
InChIKeyCJEJHLNXKRYKNZ-UHFFFAOYSA-N
MW359.72 g/mol
LogP4.95
Rot. Bonds4

About N-[(2-bromo-5-chlorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine

N-[(2-bromo-5-chlorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine (PubChem CID 66156268) has the molecular formula C14H16BrClN2S and a molecular weight of 359.72 g/mol. Its IUPAC name is N-[(2-bromo-5-chlorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-chlorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
PubChem CID66156268
Molecular FormulaC14H16BrClN2S
Molecular Weight359.72 g/mol
Exact Mass357.99
IUPAC NameN-[(2-bromo-5-chlorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCc1csc(C(NC(C)C)c2cc(Cl)ccc2Br)n1
InChIInChI=1S/C14H16BrClN2S/c1-8(2)17-13(14-18-9(3)7-19-14)11-6-10(16)4-5-12(11)15/h4-8,13,17H,1-3H3
InChIKeyCJEJHLNXKRYKNZ-UHFFFAOYSA-N
XLogP4.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.72
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-difluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61334813
N-[(3-bromo-4-methylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 105402371
N-[(5-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 114859222
N-[(3-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61333244
N-[(4-methyl-1,3-thiazol-2-yl)-[2-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 61334029
N-[(4-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61335982
1-(2-bromo-5-chlorophenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine
CID 66157853
N-[(5-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 114859249
N-[(4-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 114859188
N-[(4-bromo-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 66481209
N-[(6-methoxy-3-pyridinyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 114937738
2-(2-bromo-5-chlorophenyl)-2-(propan-2-ylamino)acetic acid
CID 66155862

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-chlorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(2-bromo-5-chlorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine (CID 66156268) is N-[(2-bromo-5-chlorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-bromo-5-chlorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-bromo-5-chlorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine is Cc1csc(C(NC(C)C)c2cc(Cl)ccc2Br)n1.
What is the InChIKey of N-[(2-bromo-5-chlorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The InChIKey is CJEJHLNXKRYKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2S/c1-8(2)17-13(14-18-9(3)7-19-14)11-6-10(16)4-5-12(11)15/h4-8,13,17H,1-3H3.
What are the key properties of N-[(2-bromo-5-chlorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
N-[(2-bromo-5-chlorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine has a molecular weight of 359.72 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-chlorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 66156268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).