[2-[(3-bromophenyl)sulfanylmethyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine

C15H19BrN2S2 — CID 114362240

IUPAC[2-[(3-bromophenyl)sulfanylmethyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
SMILESCC(C)Cc1nc(CSc2cccc(Br)c2)sc1CN
InChIInChI=1S/C15H19BrN2S2/c1-10(2)6-13-14(8-17)20-15(18-13)9-19-12-5-3-4-11(16)7-12/h3-5,7,10H,6,8-9,17H2,1-2H3
InChIKeyUSQBDEWSKYWIIT-UHFFFAOYSA-N
MW371.37 g/mol
LogP4.86
Rot. Bonds6

About [2-[(3-bromophenyl)sulfanylmethyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine

[2-[(3-bromophenyl)sulfanylmethyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 114362240) has the molecular formula C15H19BrN2S2 and a molecular weight of 371.37 g/mol. Its IUPAC name is [2-[(3-bromophenyl)sulfanylmethyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(3-bromophenyl)sulfanylmethyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
PubChem CID114362240
Molecular FormulaC15H19BrN2S2
Molecular Weight371.37 g/mol
Exact Mass370.02
IUPAC Name[2-[(3-bromophenyl)sulfanylmethyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
SMILESCC(C)Cc1nc(CSc2cccc(Br)c2)sc1CN
InChIInChI=1S/C15H19BrN2S2/c1-10(2)6-13-14(8-17)20-15(18-13)9-19-12-5-3-4-11(16)7-12/h3-5,7,10H,6,8-9,17H2,1-2H3
InChIKeyUSQBDEWSKYWIIT-UHFFFAOYSA-N
XLogP4.86
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(3-bromophenyl)sulfanylmethyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841383
[2-[(2-bromophenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362094
1-[2-[(3-bromophenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114368430
[2-[(3-bromophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methanamine
CID 66159246
[4-(2-methylpropyl)-2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine
CID 114361998
2-[2-[(3-bromophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanamine
CID 66159845
[4-(2-methylpropyl)-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine
CID 114362112
1-[2-[(3-bromophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 66161603
2-[(3-bromophenyl)sulfanylmethyl]-4-(chloromethyl)-1,3-thiazole
CID 66142768
[2-[(4-chlorophenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362062
1-[2-[(3-bromophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 66160617
[2-(3-bromo-2-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362030

Frequently Asked Questions

What is the IUPAC name of [2-[(3-bromophenyl)sulfanylmethyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-[(3-bromophenyl)sulfanylmethyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine (CID 114362240) is [2-[(3-bromophenyl)sulfanylmethyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-[(3-bromophenyl)sulfanylmethyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-[(3-bromophenyl)sulfanylmethyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine is CC(C)Cc1nc(CSc2cccc(Br)c2)sc1CN.
What is the InChIKey of [2-[(3-bromophenyl)sulfanylmethyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is USQBDEWSKYWIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2S2/c1-10(2)6-13-14(8-17)20-15(18-13)9-19-12-5-3-4-11(16)7-12/h3-5,7,10H,6,8-9,17H2,1-2H3.
What are the key properties of [2-[(3-bromophenyl)sulfanylmethyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
[2-[(3-bromophenyl)sulfanylmethyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 371.37 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-bromophenyl)sulfanylmethyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114362240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).