1-(5-bromothiophen-2-yl)-1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propan-2-amine

C14H17BrN2S2 — CID 102924749

IUPAC1-(5-bromothiophen-2-yl)-1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propan-2-amine
SMILESCc1cc(C)nc(SC(c2ccc(Br)s2)C(C)N)c1
InChIInChI=1S/C14H17BrN2S2/c1-8-6-9(2)17-13(7-8)19-14(10(3)16)11-4-5-12(15)18-11/h4-7,10,14H,16H2,1-3H3
InChIKeyBGCZROORVYXMJR-UHFFFAOYSA-N
MW357.34 g/mol
LogP4.70
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propan-2-amine

1-(5-bromothiophen-2-yl)-1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propan-2-amine (PubChem CID 102924749) has the molecular formula C14H17BrN2S2 and a molecular weight of 357.34 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propan-2-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propan-2-amine
PubChem CID102924749
Molecular FormulaC14H17BrN2S2
Molecular Weight357.34 g/mol
Exact Mass356.00
IUPAC Name1-(5-bromothiophen-2-yl)-1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propan-2-amine
SMILESCc1cc(C)nc(SC(c2ccc(Br)s2)C(C)N)c1
InChIInChI=1S/C14H17BrN2S2/c1-8-6-9(2)17-13(7-8)19-14(10(3)16)11-4-5-12(15)18-11/h4-7,10,14H,16H2,1-3H3
InChIKeyBGCZROORVYXMJR-UHFFFAOYSA-N
XLogP4.70
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propan-2-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propan-2-amine (CID 102924749) is 1-(5-bromothiophen-2-yl)-1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propan-2-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propan-2-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propan-2-amine is Cc1cc(C)nc(SC(c2ccc(Br)s2)C(C)N)c1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propan-2-amine?
The InChIKey is BGCZROORVYXMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2S2/c1-8-6-9(2)17-13(7-8)19-14(10(3)16)11-4-5-12(15)18-11/h4-7,10,14H,16H2,1-3H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propan-2-amine?
1-(5-bromothiophen-2-yl)-1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propan-2-amine has a molecular weight of 357.34 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propan-2-amine is sourced from PubChem (CID 102924749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).