2-[[2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methylsulfanyl]ethanamine

C9H17N3S2 — CID 15592304

IUPAC2-[[2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methylsulfanyl]ethanamine
SMILESCN(C)Cc1ncc(CSCCN)s1
InChIInChI=1S/C9H17N3S2/c1-12(2)6-9-11-5-8(14-9)7-13-4-3-10/h5H,3-4,6-7,10H2,1-2H3
InChIKeyWKALHTWRHJAWMH-UHFFFAOYSA-N
MW231.39 g/mol
LogP1.40
Rot. Bonds6

About 2-[[2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methylsulfanyl]ethanamine

2-[[2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methylsulfanyl]ethanamine (PubChem CID 15592304) has the molecular formula C9H17N3S2 and a molecular weight of 231.39 g/mol. Its IUPAC name is 2-[[2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methylsulfanyl]ethanamine.

Molecular Properties

Compound Name2-[[2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methylsulfanyl]ethanamine
PubChem CID15592304
Molecular FormulaC9H17N3S2
Molecular Weight231.39 g/mol
Exact Mass231.09
IUPAC Name2-[[2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methylsulfanyl]ethanamine
SMILESCN(C)Cc1ncc(CSCCN)s1
InChIInChI=1S/C9H17N3S2/c1-12(2)6-9-11-5-8(14-9)7-13-4-3-10/h5H,3-4,6-7,10H2,1-2H3
InChIKeyWKALHTWRHJAWMH-UHFFFAOYSA-N
XLogP1.40
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.39
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Ethyl-5-methylthiazole
CID 519733
1-[(2-Methyl-1,3-thiazol-5-yl)methyl]piperazine
CID 52319808
[(5-Ethyl-1,3-thiazol-2-yl)methyl](methyl)amine
CID 62653717
(2-Methyl-1,3-thiazol-5-yl)methanamine
CID 19046689
(5-Ethyl-1,3-thiazol-2-yl)methanamine
CID 24274391
(5-Methyl-1,3-thiazol-2-yl)methanamine
CID 24274472
1-(5-Methyl-1,3-thiazol-2-yl)ethan-1-amine
CID 24274473
2-(5-Methyl-1,3-thiazol-2-yl)propan-1-amine
CID 24274474
2-(5-Methyl-1,3-thiazol-2-yl)ethan-1-amine
CID 24279096
(2-Ethyl-1,3-thiazol-5-yl)methanamine
CID 60983127
N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]propane-1-sulfonamide
CID 72120337
1-(5-Ethyl-1,3-thiazol-2-yl)ethan-1-amine
CID 24274392

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methylsulfanyl]ethanamine?
The IUPAC name of 2-[[2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methylsulfanyl]ethanamine (CID 15592304) is 2-[[2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methylsulfanyl]ethanamine.
What is the SMILES notation for 2-[[2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methylsulfanyl]ethanamine?
The canonical SMILES for 2-[[2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methylsulfanyl]ethanamine is CN(C)Cc1ncc(CSCCN)s1.
What is the InChIKey of 2-[[2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methylsulfanyl]ethanamine?
The InChIKey is WKALHTWRHJAWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S2/c1-12(2)6-9-11-5-8(14-9)7-13-4-3-10/h5H,3-4,6-7,10H2,1-2H3.
What are the key properties of 2-[[2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methylsulfanyl]ethanamine?
2-[[2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methylsulfanyl]ethanamine has a molecular weight of 231.39 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methylsulfanyl]ethanamine is sourced from PubChem (CID 15592304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).