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

C14H25N3S — CID 112640915

IUPAC2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCN(Cc2cncs2)CC1
InChIInChI=1S/C14H25N3S/c1-12(2)7-15-8-13-3-5-17(6-4-13)10-14-9-16-11-18-14/h9,11-13,15H,3-8,10H2,1-2H3
InChIKeyGYWCCMGNCMBMQZ-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.60
Rot. Bonds6

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

2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]methyl]propan-1-amine (PubChem CID 112640915) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]methyl]propan-1-amine
PubChem CID112640915
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCN(Cc2cncs2)CC1
InChIInChI=1S/C14H25N3S/c1-12(2)7-15-8-13-3-5-17(6-4-13)10-14-9-16-11-18-14/h9,11-13,15H,3-8,10H2,1-2H3
InChIKeyGYWCCMGNCMBMQZ-UHFFFAOYSA-N
XLogP2.60
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]oxyethanol
CID 112548978
2-methyl-N-[[2-(1,3-thiazol-5-ylmethyl)cyclobutyl]methyl]propan-1-amine
CID 112645563
N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 104798210
N,N-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-amine
CID 141415838
N-[[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62592588
N-(oxan-4-yl)-2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]acetamide
CID 165431469
5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 112644427
1-(1,3-thiazol-5-ylmethyl)azepan-4-ol
CID 126987254
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 115332094
N,2,2-trimethyl-N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]methyl]propanamide
CID 171700798
5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 163343642
5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738462

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]methyl]propan-1-amine (CID 112640915) is 2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]methyl]propan-1-amine is CC(C)CNCC1CCN(Cc2cncs2)CC1.
What is the InChIKey of 2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]methyl]propan-1-amine?
The InChIKey is GYWCCMGNCMBMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-12(2)7-15-8-13-3-5-17(6-4-13)10-14-9-16-11-18-14/h9,11-13,15H,3-8,10H2,1-2H3.
What are the key properties of 2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]methyl]propan-1-amine?
2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]methyl]propan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 112640915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).