1-(3-bromothiophen-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine

C14H19BrN2S2 — CID 55120538

IUPAC1-(3-bromothiophen-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1nc(C)cs1)Cc1sccc1Br
InChIInChI=1S/C14H19BrN2S2/c1-3-5-16-11(7-13-12(15)4-6-18-13)8-14-17-10(2)9-19-14/h4,6,9,11,16H,3,5,7-8H2,1-2H3
InChIKeyVNATWAQWMJKRJV-UHFFFAOYSA-N
MW359.36 g/mol
LogP4.43
Rot. Bonds7

About 1-(3-bromothiophen-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine

1-(3-bromothiophen-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine (PubChem CID 55120538) has the molecular formula C14H19BrN2S2 and a molecular weight of 359.36 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
PubChem CID55120538
Molecular FormulaC14H19BrN2S2
Molecular Weight359.36 g/mol
Exact Mass358.02
IUPAC Name1-(3-bromothiophen-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1nc(C)cs1)Cc1sccc1Br
InChIInChI=1S/C14H19BrN2S2/c1-3-5-16-11(7-13-12(15)4-6-18-13)8-14-17-10(2)9-19-14/h4,6,9,11,16H,3,5,7-8H2,1-2H3
InChIKeyVNATWAQWMJKRJV-UHFFFAOYSA-N
XLogP4.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 62796548
1-(3-bromothiophen-2-yl)-3-(2-methylphenyl)-N-propylpropan-2-amine
CID 63417463
1-(3-bromothiophen-2-yl)-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 105139513
1-(3-bromothiophen-2-yl)-3-(2,5-dimethylphenyl)-N-propylpropan-2-amine
CID 115849045
1-(5-fluoro-2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 105373850
3-(3-bromothiophen-2-yl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 79088293
1-(2,5-difluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 62796725
1-(2,5-dichlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 65321483
1-(furan-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 83176126
1-(4-methyl-1,3-thiazol-2-yl)-N-propylundecan-2-amine
CID 63416762
4-methylidene-1-(4-methyl-1,3-thiazol-2-yl)-N-propylhexan-2-amine
CID 66038753
1-(4-methyl-1,3-thiazol-2-yl)-N-propylhex-5-yn-2-amine
CID 63644001

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine (CID 55120538) is 1-(3-bromothiophen-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine is CCCNC(Cc1nc(C)cs1)Cc1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine?
The InChIKey is VNATWAQWMJKRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2S2/c1-3-5-16-11(7-13-12(15)4-6-18-13)8-14-17-10(2)9-19-14/h4,6,9,11,16H,3,5,7-8H2,1-2H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine?
1-(3-bromothiophen-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine has a molecular weight of 359.36 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine is sourced from PubChem (CID 55120538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).