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

C14H15BrN2S2 — CID 114361816

IUPAC[2-[(2-bromophenyl)sulfanylmethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine
SMILESNCc1sc(CSc2ccccc2Br)nc1C1CC1
InChIInChI=1S/C14H15BrN2S2/c15-10-3-1-2-4-11(10)18-8-13-17-14(9-5-6-9)12(7-16)19-13/h1-4,9H,5-8,16H2
InChIKeyUOQBRKGCLNJGFD-UHFFFAOYSA-N
MW355.33 g/mol
LogP4.53
Rot. Bonds5

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

[2-[(2-bromophenyl)sulfanylmethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine (PubChem CID 114361816) has the molecular formula C14H15BrN2S2 and a molecular weight of 355.33 g/mol. Its IUPAC name is [2-[(2-bromophenyl)sulfanylmethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(2-bromophenyl)sulfanylmethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine
PubChem CID114361816
Molecular FormulaC14H15BrN2S2
Molecular Weight355.33 g/mol
Exact Mass353.99
IUPAC Name[2-[(2-bromophenyl)sulfanylmethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine
SMILESNCc1sc(CSc2ccccc2Br)nc1C1CC1
InChIInChI=1S/C14H15BrN2S2/c15-10-3-1-2-4-11(10)18-8-13-17-14(9-5-6-9)12(7-16)19-13/h1-4,9H,5-8,16H2
InChIKeyUOQBRKGCLNJGFD-UHFFFAOYSA-N
XLogP4.53
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(butan-2-ylsulfanylmethyl)-4-cyclopropyl-1,3-thiazol-5-yl]methanamine
CID 114361967
(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)methanamine
CID 82435899
[4-cyclopropyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]methanamine
CID 82437103
2-[2-[(2-bromophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanamine
CID 66145276
2-[(2-bromophenyl)sulfanylmethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 66144486
[4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82436143
2-[(2-bromophenyl)sulfanylmethyl]-4-(chloromethyl)-1,3-thiazole
CID 66142867
2-[(2-bromophenyl)methyl]-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 114360188
[2-[(2-bromophenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362094
[4-cyclopropyl-2-(2-phenylpropan-2-yl)-1,3-thiazol-5-yl]methanamine
CID 114361923
[2-[(2-chlorophenyl)sulfanylmethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114361556
[2-[(2-fluorophenyl)sulfanylmethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114361388

Frequently Asked Questions

What is the IUPAC name of [2-[(2-bromophenyl)sulfanylmethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-[(2-bromophenyl)sulfanylmethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine (CID 114361816) is [2-[(2-bromophenyl)sulfanylmethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-[(2-bromophenyl)sulfanylmethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-[(2-bromophenyl)sulfanylmethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine is NCc1sc(CSc2ccccc2Br)nc1C1CC1.
What is the InChIKey of [2-[(2-bromophenyl)sulfanylmethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is UOQBRKGCLNJGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2S2/c15-10-3-1-2-4-11(10)18-8-13-17-14(9-5-6-9)12(7-16)19-13/h1-4,9H,5-8,16H2.
What are the key properties of [2-[(2-bromophenyl)sulfanylmethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine?
[2-[(2-bromophenyl)sulfanylmethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 355.33 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-bromophenyl)sulfanylmethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114361816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).