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

C14H19BrN2S2 — CID 115380873

IUPACN-[(3-bromothiophen-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nc(C(C)C)cs1)c1sccc1Br
InChIInChI=1S/C14H19BrN2S2/c1-4-6-16-12(13-10(15)5-7-18-13)14-17-11(8-19-14)9(2)3/h5,7-9,12,16H,4,6H2,1-3H3
InChIKeyVGNYUIPWPDVNQQ-UHFFFAOYSA-N
MW359.36 g/mol
LogP5.18
Rot. Bonds6

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

N-[(3-bromothiophen-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine (PubChem CID 115380873) has the molecular formula C14H19BrN2S2 and a molecular weight of 359.36 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine
PubChem CID115380873
Molecular FormulaC14H19BrN2S2
Molecular Weight359.36 g/mol
Exact Mass358.02
IUPAC NameN-[(3-bromothiophen-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nc(C(C)C)cs1)c1sccc1Br
InChIInChI=1S/C14H19BrN2S2/c1-4-6-16-12(13-10(15)5-7-18-13)14-17-11(8-19-14)9(2)3/h5,7-9,12,16H,4,6H2,1-3H3
InChIKeyVGNYUIPWPDVNQQ-UHFFFAOYSA-N
XLogP5.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.36
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-bromothiophen-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine with MolForge

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Related Compounds

N-[(4-bromo-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 66480410
N-[(3-bromothiophen-2-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 115380872
N-[(3-bromothiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine
CID 115380875
N-[(3-bromothiophen-2-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-1-amine
CID 115380876
N-[(2-bromophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 61331430
N-[(3-chloro-4-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 106818065
N-[(3-bromothiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine
CID 63797565
N-[(4-bromo-1-methylpyrazol-5-yl)-(3-bromothiophen-2-yl)methyl]propan-1-amine
CID 105054059
N-[(3-bromothiophen-2-yl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 115857450
N-[(3-bromo-2-fluorophenyl)-(3-bromothiophen-2-yl)methyl]propan-1-amine
CID 106647972
N-[(5-bromo-4-methylthiophen-2-yl)-(3-bromothiophen-2-yl)methyl]propan-1-amine
CID 79992101
N-[(3-bromo-5-methylphenyl)-(3-bromothiophen-2-yl)methyl]propan-1-amine
CID 104851374

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-bromothiophen-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine (CID 115380873) is N-[(3-bromothiophen-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine is CCCNC(c1nc(C(C)C)cs1)c1sccc1Br.
What is the InChIKey of N-[(3-bromothiophen-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine?
The InChIKey is VGNYUIPWPDVNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2S2/c1-4-6-16-12(13-10(15)5-7-18-13)14-17-11(8-19-14)9(2)3/h5,7-9,12,16H,4,6H2,1-3H3.
What are the key properties of N-[(3-bromothiophen-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine?
N-[(3-bromothiophen-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine has a molecular weight of 359.36 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 115380873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).