(3-bromo-4-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine

C14H17BrN2S — CID 105402306

IUPAC(3-bromo-4-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
SMILESCc1ccc(C(N)c2nc(C(C)C)cs2)cc1Br
InChIInChI=1S/C14H17BrN2S/c1-8(2)12-7-18-14(17-12)13(16)10-5-4-9(3)11(15)6-10/h4-8,13H,16H2,1-3H3
InChIKeyPXCMDJOUCHTAJJ-UHFFFAOYSA-N
MW325.28 g/mol
LogP4.39
Rot. Bonds3

About (3-bromo-4-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine

(3-bromo-4-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine (PubChem CID 105402306) has the molecular formula C14H17BrN2S and a molecular weight of 325.28 g/mol. Its IUPAC name is (3-bromo-4-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
PubChem CID105402306
Molecular FormulaC14H17BrN2S
Molecular Weight325.28 g/mol
Exact Mass324.03
IUPAC Name(3-bromo-4-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
SMILESCc1ccc(C(N)c2nc(C(C)C)cs2)cc1Br
InChIInChI=1S/C14H17BrN2S/c1-8(2)12-7-18-14(17-12)13(16)10-5-4-9(3)11(15)6-10/h4-8,13H,16H2,1-3H3
InChIKeyPXCMDJOUCHTAJJ-UHFFFAOYSA-N
XLogP4.39
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxy-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 62133738
(4-chloro-3-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 54980335
4-[amino-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-N,N-dimethylaniline
CID 61330087
(4-propan-2-yl-1,3-thiazol-2-yl)-(3,4,5-trifluorophenyl)methanamine
CID 55146785
N-[(4-bromo-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 66480410
(5-bromothiophen-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 61347398
N-[(4-bromo-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 66481209
(4-propan-2-yl-1,3-thiazol-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 61330086
1-(3-bromo-4-methylphenyl)ethanamine
CID 70795886
(S)-(3-bromo-4-methylphenyl)-thiophen-2-ylmethanamine
CID 171203908
(3-bromo-4-methylphenyl)-(4-bromophenyl)methanamine
CID 81472586
1-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 61332525

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of (3-bromo-4-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine (CID 105402306) is (3-bromo-4-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for (3-bromo-4-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for (3-bromo-4-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine is Cc1ccc(C(N)c2nc(C(C)C)cs2)cc1Br.
What is the InChIKey of (3-bromo-4-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine?
The InChIKey is PXCMDJOUCHTAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2S/c1-8(2)12-7-18-14(17-12)13(16)10-5-4-9(3)11(15)6-10/h4-8,13H,16H2,1-3H3.
What are the key properties of (3-bromo-4-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine?
(3-bromo-4-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine has a molecular weight of 325.28 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 105402306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).