N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-piperidin-4-ylsulfanylethanamine

C12H21N3S2 — CID 114128261

IUPACN-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-piperidin-4-ylsulfanylethanamine
SMILESCc1cnc(CNCCSC2CCNCC2)s1
InChIInChI=1S/C12H21N3S2/c1-10-8-15-12(17-10)9-14-6-7-16-11-2-4-13-5-3-11/h8,11,13-14H,2-7,9H2,1H3
InChIKeyHYOXBGXMHYNCBZ-UHFFFAOYSA-N
MW271.45 g/mol
LogP2.03
Rot. Bonds6

About N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-piperidin-4-ylsulfanylethanamine

N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-piperidin-4-ylsulfanylethanamine (PubChem CID 114128261) has the molecular formula C12H21N3S2 and a molecular weight of 271.45 g/mol. Its IUPAC name is N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-piperidin-4-ylsulfanylethanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-piperidin-4-ylsulfanylethanamine
PubChem CID114128261
Molecular FormulaC12H21N3S2
Molecular Weight271.45 g/mol
Exact Mass271.12
IUPAC NameN-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-piperidin-4-ylsulfanylethanamine
SMILESCc1cnc(CNCCSC2CCNCC2)s1
InChIInChI=1S/C12H21N3S2/c1-10-8-15-12(17-10)9-14-6-7-16-11-2-4-13-5-3-11/h8,11,13-14H,2-7,9H2,1H3
InChIKeyHYOXBGXMHYNCBZ-UHFFFAOYSA-N
XLogP2.03
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 52.03
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-Methyl-1,3-thiazol-5-yl)methyl]piperazine
CID 52319808
1-(5-Methyl-1,3-thiazol-2-yl)ethan-1-amine
CID 24274473
4-(5-Methyl-1,3-thiazol-2-yl)piperidine
CID 62651152
1-(5-Methyl-1,3-thiazol-2-yl)propan-1-amine
CID 43558941
1-cyclopropyl-N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 75376608
1-(cyclopropylmethyl)-N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 97232904
5-(Difluoromethyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole
CID 174286508
3-[5-(fluoromethyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine
CID 84770826
5-(Fluoromethyl)-2-piperidin-4-yl-1,3-thiazole
CID 84775889
5-(Fluoromethyl)-2-piperidin-3-yl-1,3-thiazole
CID 84775890
5-(Fluoromethyl)-2-(piperidin-4-ylmethyl)-1,3-thiazole
CID 84783507
5-(Fluoromethyl)-2-(piperidin-3-ylmethyl)-1,3-thiazole
CID 84783508

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-piperidin-4-ylsulfanylethanamine?
The IUPAC name of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-piperidin-4-ylsulfanylethanamine (CID 114128261) is N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-piperidin-4-ylsulfanylethanamine.
What is the SMILES notation for N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-piperidin-4-ylsulfanylethanamine?
The canonical SMILES for N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-piperidin-4-ylsulfanylethanamine is Cc1cnc(CNCCSC2CCNCC2)s1.
What is the InChIKey of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-piperidin-4-ylsulfanylethanamine?
The InChIKey is HYOXBGXMHYNCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S2/c1-10-8-15-12(17-10)9-14-6-7-16-11-2-4-13-5-3-11/h8,11,13-14H,2-7,9H2,1H3.
What are the key properties of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-piperidin-4-ylsulfanylethanamine?
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-piperidin-4-ylsulfanylethanamine has a molecular weight of 271.45 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-piperidin-4-ylsulfanylethanamine is sourced from PubChem (CID 114128261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).