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

C14H11BrN2S2 — CID 115380154

IUPACN-[(3-bromothiophen-2-yl)methyl]-4-(1,3-thiazol-2-yl)aniline
SMILESBrc1ccsc1CNc1ccc(-c2nccs2)cc1
InChIInChI=1S/C14H11BrN2S2/c15-12-5-7-18-13(12)9-17-11-3-1-10(2-4-11)14-16-6-8-19-14/h1-8,17H,9H2
InChIKeyFPSUIZVOWLVJPZ-UHFFFAOYSA-N
MW351.29 g/mol
LogP5.25
Rot. Bonds4

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

N-[(3-bromothiophen-2-yl)methyl]-4-(1,3-thiazol-2-yl)aniline (PubChem CID 115380154) has the molecular formula C14H11BrN2S2 and a molecular weight of 351.29 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-4-(1,3-thiazol-2-yl)aniline.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-4-(1,3-thiazol-2-yl)aniline
PubChem CID115380154
Molecular FormulaC14H11BrN2S2
Molecular Weight351.29 g/mol
Exact Mass349.95
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-4-(1,3-thiazol-2-yl)aniline
SMILESBrc1ccsc1CNc1ccc(-c2nccs2)cc1
InChIInChI=1S/C14H11BrN2S2/c15-12-5-7-18-13(12)9-17-11-3-1-10(2-4-11)14-16-6-8-19-14/h1-8,17H,9H2
InChIKeyFPSUIZVOWLVJPZ-UHFFFAOYSA-N
XLogP5.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.29
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(1,3-thiazol-2-yl)anilino]methyl]phenol
CID 60927719
N-[(3,5-dimethylphenyl)methyl]-4-(1,3-thiazol-2-yl)aniline
CID 60694542
N-(pyrimidin-4-ylmethyl)-4-(1,3-thiazol-2-yl)aniline
CID 62749085
N-[(4-methylsulfanylphenyl)methyl]-4-(1,3-thiazol-2-yl)aniline
CID 60694138
2-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole
CID 901538
N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3-thiazol-2-yl)aniline
CID 62352245
N-[(4-bromophenyl)methyl]-3-(1,3-thiazol-2-yl)aniline
CID 60936182
N-(2-ethylbutyl)-4-(1,3-thiazol-2-yl)aniline
CID 54861913
N-[(3-methyltriazol-4-yl)methyl]-4-(1,3-thiazol-2-yl)aniline
CID 115749257
N-[(3-bromophenyl)methyl]-3-(1,3-thiazol-2-yl)aniline
CID 60936311
N-[(3-bromothiophen-2-yl)methyl]-6-nitropyridin-3-amine
CID 78992969
N-octyl-4-(1,3-thiazol-2-yl)aniline
CID 63448826

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-4-(1,3-thiazol-2-yl)aniline?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-4-(1,3-thiazol-2-yl)aniline (CID 115380154) is N-[(3-bromothiophen-2-yl)methyl]-4-(1,3-thiazol-2-yl)aniline.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-4-(1,3-thiazol-2-yl)aniline?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-4-(1,3-thiazol-2-yl)aniline is Brc1ccsc1CNc1ccc(-c2nccs2)cc1.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-4-(1,3-thiazol-2-yl)aniline?
The InChIKey is FPSUIZVOWLVJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2S2/c15-12-5-7-18-13(12)9-17-11-3-1-10(2-4-11)14-16-6-8-19-14/h1-8,17H,9H2.
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-4-(1,3-thiazol-2-yl)aniline?
N-[(3-bromothiophen-2-yl)methyl]-4-(1,3-thiazol-2-yl)aniline has a molecular weight of 351.29 g/mol, XLogP of 5.25, 4 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)methyl]-4-(1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 115380154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).