[2-[(3-bromophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methanamine

C11H11BrN2S2 — CID 66159246

IUPAC[2-[(3-bromophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(CSc2cccc(Br)c2)s1
InChIInChI=1S/C11H11BrN2S2/c12-8-2-1-3-9(4-8)15-7-11-14-6-10(5-13)16-11/h1-4,6H,5,7,13H2
InChIKeyIPHFYYUGXOEBTN-UHFFFAOYSA-N
MW315.26 g/mol
LogP3.66
Rot. Bonds4

About [2-[(3-bromophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methanamine

[2-[(3-bromophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methanamine (PubChem CID 66159246) has the molecular formula C11H11BrN2S2 and a molecular weight of 315.26 g/mol. Its IUPAC name is [2-[(3-bromophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(3-bromophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methanamine
PubChem CID66159246
Molecular FormulaC11H11BrN2S2
Molecular Weight315.26 g/mol
Exact Mass313.95
IUPAC Name[2-[(3-bromophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(CSc2cccc(Br)c2)s1
InChIInChI=1S/C11H11BrN2S2/c12-8-2-1-3-9(4-8)15-7-11-14-6-10(5-13)16-11/h1-4,6H,5,7,13H2
InChIKeyIPHFYYUGXOEBTN-UHFFFAOYSA-N
XLogP3.66
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methanamine
CID 66143026
[2-[(4-methylphenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methanamine
CID 66064438
2-[2-[(3-bromophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanamine
CID 66159845
[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]methanamine
CID 82054774
[2-[(3-bromophenyl)sulfanylmethyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362240
2-[(3-bromophenyl)sulfanylmethyl]-4-(chloromethyl)-1,3-thiazole
CID 66142768
2-[(3-bromophenyl)sulfanylmethyl]-4-chloropyridine
CID 79245716
1-[2-[(3-bromophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 66160617
3-bromo-5-[(3-bromophenyl)sulfanylmethyl]pyridine
CID 115609057
[3-[(2-methyl-1,3-thiazol-5-yl)methylsulfanyl]phenyl]methanamine
CID 66353686
[2-[(3-bromophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methanol
CID 66160042
1-[2-[(3-bromophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 66161603

Frequently Asked Questions

What is the IUPAC name of [2-[(3-bromophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-[(3-bromophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methanamine (CID 66159246) is [2-[(3-bromophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-[(3-bromophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-[(3-bromophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methanamine is NCc1cnc(CSc2cccc(Br)c2)s1.
What is the InChIKey of [2-[(3-bromophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methanamine?
The InChIKey is IPHFYYUGXOEBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2S2/c12-8-2-1-3-9(4-8)15-7-11-14-6-10(5-13)16-11/h1-4,6H,5,7,13H2.
What are the key properties of [2-[(3-bromophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methanamine?
[2-[(3-bromophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methanamine has a molecular weight of 315.26 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-bromophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 66159246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).