4-bromo-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine

C10H9BrN2S2 — CID 79399128

IUPAC4-bromo-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine
SMILESCSc1cccc(Nc2nc(Br)cs2)c1
InChIInChI=1S/C10H9BrN2S2/c1-14-8-4-2-3-7(5-8)12-10-13-9(11)6-15-10/h2-6H,1H3,(H,12,13)
InChIKeyQQNQDTBHHNRBON-UHFFFAOYSA-N
MW301.23 g/mol
LogP4.37
Rot. Bonds3

About 4-bromo-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine

4-bromo-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine (PubChem CID 79399128) has the molecular formula C10H9BrN2S2 and a molecular weight of 301.23 g/mol. Its IUPAC name is 4-bromo-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine
PubChem CID79399128
Molecular FormulaC10H9BrN2S2
Molecular Weight301.23 g/mol
Exact Mass299.94
IUPAC Name4-bromo-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine
SMILESCSc1cccc(Nc2nc(Br)cs2)c1
InChIInChI=1S/C10H9BrN2S2/c1-14-8-4-2-3-7(5-8)12-10-13-9(11)6-15-10/h2-6H,1H3,(H,12,13)
InChIKeyQQNQDTBHHNRBON-UHFFFAOYSA-N
XLogP4.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylsulfanylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
CID 58910606
3-N-(4-bromo-1,3-thiazol-2-yl)benzene-1,3-diamine
CID 79398738
N-(3-methylsulfanylphenyl)-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-amine
CID 122184011
4-bromo-N-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-amine
CID 79398809
6-bromo-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine
CID 79534156
7-chloro-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine
CID 43306507
4-bromo-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 79400359
4-[(E)-1-[[(3Z,5Z)-hepta-3,5-dien-2-ylidene]amino]prop-1-en-2-yl]-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine
CID 129173895
4-bromo-N-(6-bromonaphthalen-2-yl)-1,3-thiazol-2-amine
CID 81259901
4-bromo-N-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-amine
CID 79400376
N-(3-methylsulfanylphenyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
CID 16955322
ethyl 5-[2-(3-methylsulfanylanilino)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate
CID 122183965

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine (CID 79399128) is 4-bromo-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine is CSc1cccc(Nc2nc(Br)cs2)c1.
What is the InChIKey of 4-bromo-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine?
The InChIKey is QQNQDTBHHNRBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2S2/c1-14-8-4-2-3-7(5-8)12-10-13-9(11)6-15-10/h2-6H,1H3,(H,12,13).
What are the key properties of 4-bromo-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine?
4-bromo-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine has a molecular weight of 301.23 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79399128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).