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

C16H21BrN2S — CID 61335804

IUPACN-[(3-bromophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCC(C)NC(c1cccc(Br)c1)c1nc(C(C)C)cs1
InChIInChI=1S/C16H21BrN2S/c1-10(2)14-9-20-16(19-14)15(18-11(3)4)12-6-5-7-13(17)8-12/h5-11,15,18H,1-4H3
InChIKeyUTIYZQKKUPCDLE-UHFFFAOYSA-N
MW353.33 g/mol
LogP5.12
Rot. Bonds5

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

N-[(3-bromophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine (PubChem CID 61335804) has the molecular formula C16H21BrN2S and a molecular weight of 353.33 g/mol. Its IUPAC name is N-[(3-bromophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine
PubChem CID61335804
Molecular FormulaC16H21BrN2S
Molecular Weight353.33 g/mol
Exact Mass352.06
IUPAC NameN-[(3-bromophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCC(C)NC(c1cccc(Br)c1)c1nc(C(C)C)cs1
InChIInChI=1S/C16H21BrN2S/c1-10(2)14-9-20-16(19-14)15(18-11(3)4)12-6-5-7-13(17)8-12/h5-11,15,18H,1-4H3
InChIKeyUTIYZQKKUPCDLE-UHFFFAOYSA-N
XLogP5.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.33
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-propan-2-yl-1,3-thiazol-2-yl)-pyridin-3-ylmethyl]propan-2-amine
CID 61336198
N-[(4-propan-2-yl-1,3-thiazol-2-yl)-thiophen-2-ylmethyl]propan-2-amine
CID 61347725
N-[(3-bromophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-2-amine
CID 61335434
1-(3-bromophenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 61332500
N-[(3-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61333244
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3-methylphenyl)methyl]propan-2-amine
CID 61333653
N-[(4-bromo-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 66480410
1-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 61332525
N-[(3-bromo-4-methylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 105402371
N-[(4-tert-butyl-1,3-thiazol-2-yl)-phenylmethyl]propan-2-amine
CID 61334246
N-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine
CID 61333650
N-[(2-bromophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 61331430

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(3-bromophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine (CID 61335804) is N-[(3-bromophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3-bromophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(3-bromophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine is CC(C)NC(c1cccc(Br)c1)c1nc(C(C)C)cs1.
What is the InChIKey of N-[(3-bromophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The InChIKey is UTIYZQKKUPCDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2S/c1-10(2)14-9-20-16(19-14)15(18-11(3)4)12-6-5-7-13(17)8-12/h5-11,15,18H,1-4H3.
What are the key properties of N-[(3-bromophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine?
N-[(3-bromophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine has a molecular weight of 353.33 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 61335804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).