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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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).