2-bromo-3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline

C10H8BrClN2S — CID 103478131

IUPAC2-bromo-3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESClc1cccc(NCc2cscn2)c1Br
InChIInChI=1S/C10H8BrClN2S/c11-10-8(12)2-1-3-9(10)13-4-7-5-15-6-14-7/h1-3,5-6,13H,4H2
InChIKeySRRCFFSIKRZZQK-UHFFFAOYSA-N
MW303.61 g/mol
LogP4.17
Rot. Bonds3

About 2-bromo-3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline

2-bromo-3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline (PubChem CID 103478131) has the molecular formula C10H8BrClN2S and a molecular weight of 303.61 g/mol. Its IUPAC name is 2-bromo-3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name2-bromo-3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline
PubChem CID103478131
Molecular FormulaC10H8BrClN2S
Molecular Weight303.61 g/mol
Exact Mass301.93
IUPAC Name2-bromo-3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESClc1cccc(NCc2cscn2)c1Br
InChIInChI=1S/C10H8BrClN2S/c11-10-8(12)2-1-3-9(10)13-4-7-5-15-6-14-7/h1-3,5-6,13H,4H2
InChIKeySRRCFFSIKRZZQK-UHFFFAOYSA-N
XLogP4.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.61
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-(1,3-thiazol-4-ylmethylamino)benzoic acid
CID 63825805
4-bromo-2,6-dichloro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61168854
5-(1,3-thiazol-4-ylmethylamino)naphthalen-1-ol
CID 61169852
2-chloro-5-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 107527417
2-chloro-4-iodo-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61169264
3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 59740767
5-chloro-2-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60696679
N-benzyl-2-bromo-3-chloroaniline
CID 103477865
2,5-dichloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 104726418
5-chloro-N-(1,3-thiazol-4-ylmethyl)-1,3-benzothiazol-4-amine
CID 61171394
N-(1,3-thiazol-4-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 60688050
2-bromo-3-chloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 103478301

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline?
The IUPAC name of 2-bromo-3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline (CID 103478131) is 2-bromo-3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline.
What is the SMILES notation for 2-bromo-3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline?
The canonical SMILES for 2-bromo-3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline is Clc1cccc(NCc2cscn2)c1Br.
What is the InChIKey of 2-bromo-3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline?
The InChIKey is SRRCFFSIKRZZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2S/c11-10-8(12)2-1-3-9(10)13-4-7-5-15-6-14-7/h1-3,5-6,13H,4H2.
What are the key properties of 2-bromo-3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline?
2-bromo-3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline has a molecular weight of 303.61 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline is sourced from PubChem (CID 103478131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).