3,5-dibromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline

C10H7Br2ClN2S — CID 168584230

IUPAC3,5-dibromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline
SMILESClc1ncc(CNc2cc(Br)cc(Br)c2)s1
InChIInChI=1S/C10H7Br2ClN2S/c11-6-1-7(12)3-8(2-6)14-4-9-5-15-10(13)16-9/h1-3,5,14H,4H2
InChIKeySTMVBBJJTNXVJB-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.93
Rot. Bonds3

About 3,5-dibromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline

3,5-dibromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline (PubChem CID 168584230) has the molecular formula C10H7Br2ClN2S and a molecular weight of 382.51 g/mol. Its IUPAC name is 3,5-dibromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name3,5-dibromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline
PubChem CID168584230
Molecular FormulaC10H7Br2ClN2S
Molecular Weight382.51 g/mol
Exact Mass379.84
IUPAC Name3,5-dibromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline
SMILESClc1ncc(CNc2cc(Br)cc(Br)c2)s1
InChIInChI=1S/C10H7Br2ClN2S/c11-6-1-7(12)3-8(2-6)14-4-9-5-15-10(13)16-9/h1-3,5,14H,4H2
InChIKeySTMVBBJJTNXVJB-UHFFFAOYSA-N
XLogP4.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoroaniline
CID 168580141
2,6-dichloro-4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenol
CID 168580497
5-bromo-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorophenol
CID 168584289
4-(5-bromopyrimidin-2-yl)sulfanyl-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline
CID 168583965
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-iodo-5-(trifluoromethyl)aniline
CID 168580762
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-bis(2,2,2-trifluoroethoxy)aniline
CID 168583320
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-fluoro-5-(trifluoromethyl)aniline
CID 168582780
4-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylaniline
CID 168582394
3-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2H-indazol-5-amine
CID 168583171
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-iodo-3-methylaniline
CID 168581142
2,4-dibromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-dimethylaniline
CID 168579882
5-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline
CID 168581795

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline?
The IUPAC name of 3,5-dibromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline (CID 168584230) is 3,5-dibromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline.
What is the SMILES notation for 3,5-dibromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline?
The canonical SMILES for 3,5-dibromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline is Clc1ncc(CNc2cc(Br)cc(Br)c2)s1.
What is the InChIKey of 3,5-dibromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline?
The InChIKey is STMVBBJJTNXVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br2ClN2S/c11-6-1-7(12)3-8(2-6)14-4-9-5-15-10(13)16-9/h1-3,5,14H,4H2.
What are the key properties of 3,5-dibromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline?
3,5-dibromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline has a molecular weight of 382.51 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline is sourced from PubChem (CID 168584230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).