4-[2-(2-methylpiperidin-1-yl)ethylsulfanylmethyl]-1,3-thiazol-2-amine

C12H21N3S2 — CID 13363924

IUPAC4-[2-(2-methylpiperidin-1-yl)ethylsulfanylmethyl]-1,3-thiazol-2-amine
SMILESCC1CCCCN1CCSCc1csc(N)n1
InChIInChI=1S/C12H21N3S2/c1-10-4-2-3-5-15(10)6-7-16-8-11-9-17-12(13)14-11/h9-10H,2-8H2,1H3,(H2,13,14)
InChIKeyZWNRHYPUUBKYDG-UHFFFAOYSA-N
MW271.45 g/mol
LogP2.83
Rot. Bonds5

About 4-[2-(2-methylpiperidin-1-yl)ethylsulfanylmethyl]-1,3-thiazol-2-amine

4-[2-(2-methylpiperidin-1-yl)ethylsulfanylmethyl]-1,3-thiazol-2-amine (PubChem CID 13363924) has the molecular formula C12H21N3S2 and a molecular weight of 271.45 g/mol. Its IUPAC name is 4-[2-(2-methylpiperidin-1-yl)ethylsulfanylmethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(2-methylpiperidin-1-yl)ethylsulfanylmethyl]-1,3-thiazol-2-amine
PubChem CID13363924
Molecular FormulaC12H21N3S2
Molecular Weight271.45 g/mol
Exact Mass271.12
IUPAC Name4-[2-(2-methylpiperidin-1-yl)ethylsulfanylmethyl]-1,3-thiazol-2-amine
SMILESCC1CCCCN1CCSCc1csc(N)n1
InChIInChI=1S/C12H21N3S2/c1-10-4-2-3-5-15(10)6-7-16-8-11-9-17-12(13)14-11/h9-10H,2-8H2,1H3,(H2,13,14)
InChIKeyZWNRHYPUUBKYDG-UHFFFAOYSA-N
XLogP2.83
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 52.83
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

4-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]-1,3-thiazol-2-amine
CID 65483873
2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 62794675
2-(2-amino-1,3-thiazol-4-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 104967422
2-chloro-4-[(2-methylazepan-1-yl)methyl]-1,3-thiazole
CID 130552539
4-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazol-2-amine
CID 62962810
4-(3-aminopropylsulfanylmethyl)-1,3-thiazol-2-amine
CID 66219976
4-[(2-amino-2-methylpropyl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 66228739
4-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]-1,3-thiazol-2-amine
CID 65484662
4-(3-methoxypropylsulfanylmethyl)-1,3-thiazol-2-amine
CID 63857547
[1-[(2-amino-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 126981102
1-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]urea
CID 125179187
2-(2-amino-1,3-thiazol-4-yl)-N-[(1-methylpiperidin-2-yl)methyl]acetamide
CID 55120129

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylpiperidin-1-yl)ethylsulfanylmethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(2-methylpiperidin-1-yl)ethylsulfanylmethyl]-1,3-thiazol-2-amine (CID 13363924) is 4-[2-(2-methylpiperidin-1-yl)ethylsulfanylmethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(2-methylpiperidin-1-yl)ethylsulfanylmethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(2-methylpiperidin-1-yl)ethylsulfanylmethyl]-1,3-thiazol-2-amine is CC1CCCCN1CCSCc1csc(N)n1.
What is the InChIKey of 4-[2-(2-methylpiperidin-1-yl)ethylsulfanylmethyl]-1,3-thiazol-2-amine?
The InChIKey is ZWNRHYPUUBKYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S2/c1-10-4-2-3-5-15(10)6-7-16-8-11-9-17-12(13)14-11/h9-10H,2-8H2,1H3,(H2,13,14).
What are the key properties of 4-[2-(2-methylpiperidin-1-yl)ethylsulfanylmethyl]-1,3-thiazol-2-amine?
4-[2-(2-methylpiperidin-1-yl)ethylsulfanylmethyl]-1,3-thiazol-2-amine has a molecular weight of 271.45 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylpiperidin-1-yl)ethylsulfanylmethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 13363924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).