1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-piperidin-4-ylsulfanylethyl)ethanamine

C14H25N3S2 — CID 114628409

IUPAC1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-piperidin-4-ylsulfanylethyl)ethanamine
SMILESCc1nc(C)c(C(C)NCCSC2CCNCC2)s1
InChIInChI=1S/C14H25N3S2/c1-10(14-11(2)17-12(3)19-14)16-8-9-18-13-4-6-15-7-5-13/h10,13,15-16H,4-9H2,1-3H3
InChIKeyMSDNKDMDVUWMSE-UHFFFAOYSA-N
MW299.51 g/mol
LogP2.90
Rot. Bonds6

About 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-piperidin-4-ylsulfanylethyl)ethanamine

1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-piperidin-4-ylsulfanylethyl)ethanamine (PubChem CID 114628409) has the molecular formula C14H25N3S2 and a molecular weight of 299.51 g/mol. Its IUPAC name is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-piperidin-4-ylsulfanylethyl)ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-piperidin-4-ylsulfanylethyl)ethanamine
PubChem CID114628409
Molecular FormulaC14H25N3S2
Molecular Weight299.51 g/mol
Exact Mass299.15
IUPAC Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-piperidin-4-ylsulfanylethyl)ethanamine
SMILESCc1nc(C)c(C(C)NCCSC2CCNCC2)s1
InChIInChI=1S/C14H25N3S2/c1-10(14-11(2)17-12(3)19-14)16-8-9-18-13-4-6-15-7-5-13/h10,13,15-16H,4-9H2,1-3H3
InChIKeyMSDNKDMDVUWMSE-UHFFFAOYSA-N
XLogP2.90
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.51
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-piperidin-3-ylethyl)ethanamine
CID 62676178
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(piperidin-2-ylmethyl)ethanamine
CID 54963110
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methyl-2-piperazin-1-ylpropan-1-amine
CID 80551072
N-(azepan-2-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 64569173
1-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-N-ethylbutane-1,3-diamine
CID 55121164
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-ethylpiperidin-2-yl)methyl]ethanamine
CID 114430915
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2,3-trimethylbutan-1-amine
CID 102613655
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]decan-1-amine
CID 63492567
N-(2-piperidin-4-ylsulfanylethyl)hexan-2-amine
CID 114628548
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine
CID 103903159
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethylsulfanylcyclopentan-1-amine
CID 114121342
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 61192868

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-piperidin-4-ylsulfanylethyl)ethanamine?
The IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-piperidin-4-ylsulfanylethyl)ethanamine (CID 114628409) is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-piperidin-4-ylsulfanylethyl)ethanamine.
What is the SMILES notation for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-piperidin-4-ylsulfanylethyl)ethanamine?
The canonical SMILES for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-piperidin-4-ylsulfanylethyl)ethanamine is Cc1nc(C)c(C(C)NCCSC2CCNCC2)s1.
What is the InChIKey of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-piperidin-4-ylsulfanylethyl)ethanamine?
The InChIKey is MSDNKDMDVUWMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S2/c1-10(14-11(2)17-12(3)19-14)16-8-9-18-13-4-6-15-7-5-13/h10,13,15-16H,4-9H2,1-3H3.
What are the key properties of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-piperidin-4-ylsulfanylethyl)ethanamine?
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-piperidin-4-ylsulfanylethyl)ethanamine has a molecular weight of 299.51 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-piperidin-4-ylsulfanylethyl)ethanamine is sourced from PubChem (CID 114628409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).