1-(3-methylbut-2-enyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine

C15H25N3S — CID 54912882

IUPAC1-(3-methylbut-2-enyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCc2nc(C)cs2)CC1
InChIInChI=1S/C15H25N3S/c1-12(2)4-7-18-8-5-14(6-9-18)16-10-15-17-13(3)11-19-15/h4,11,14,16H,5-10H2,1-3H3
InChIKeyGDYOWWOBMRNDQZ-UHFFFAOYSA-N
MW279.45 g/mol
LogP2.97
Rot. Bonds5

About 1-(3-methylbut-2-enyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine

1-(3-methylbut-2-enyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine (PubChem CID 54912882) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
PubChem CID54912882
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name1-(3-methylbut-2-enyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCc2nc(C)cs2)CC1
InChIInChI=1S/C15H25N3S/c1-12(2)4-7-18-8-5-14(6-9-18)16-10-15-17-13(3)11-19-15/h4,11,14,16H,5-10H2,1-3H3
InChIKeyGDYOWWOBMRNDQZ-UHFFFAOYSA-N
XLogP2.97
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3-methylbut-2-enyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methylbut-2-enyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 61282827
1-(3-methylbut-2-enyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine
CID 43769320
1-(3-methylbut-2-enyl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-amine
CID 61015864
N-ethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine
CID 63242491
2-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]phenol
CID 115617583
1-(3-methylbut-2-enyl)-N-[(3-methyl-2-pyridinyl)methyl]piperidin-4-amine
CID 63306097
N-ethyl-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43755150
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 56569543
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,1-dioxothietan-3-amine
CID 131025858
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63238545
3-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine
CID 104587961
1-(3,5-dimethoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine
CID 71980341

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-(3-methylbut-2-enyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine (CID 54912882) is 1-(3-methylbut-2-enyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-(3-methylbut-2-enyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine is CC(C)=CCN1CCC(NCc2nc(C)cs2)CC1.
What is the InChIKey of 1-(3-methylbut-2-enyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine?
The InChIKey is GDYOWWOBMRNDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-12(2)4-7-18-8-5-14(6-9-18)16-10-15-17-13(3)11-19-15/h4,11,14,16H,5-10H2,1-3H3.
What are the key properties of 1-(3-methylbut-2-enyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine?
1-(3-methylbut-2-enyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine has a molecular weight of 279.45 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 54912882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).