4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine

C12H22N4S — CID 54986069

IUPAC4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCN(C)CC1CCN(Cc2csc(N)n2)CC1
InChIInChI=1S/C12H22N4S/c1-15(2)7-10-3-5-16(6-4-10)8-11-9-17-12(13)14-11/h9-10H,3-8H2,1-2H3,(H2,13,14)
InChIKeyIWTJJGJMXUHJLH-UHFFFAOYSA-N
MW254.40 g/mol
LogP1.50
Rot. Bonds4

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

4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 54986069) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is 4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID54986069
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCN(C)CC1CCN(Cc2csc(N)n2)CC1
InChIInChI=1S/C12H22N4S/c1-15(2)7-10-3-5-16(6-4-10)8-11-9-17-12(13)14-11/h9-10H,3-8H2,1-2H3,(H2,13,14)
InChIKeyIWTJJGJMXUHJLH-UHFFFAOYSA-N
XLogP1.50
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine (CID 54986069) is 4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine is CN(C)CC1CCN(Cc2csc(N)n2)CC1.
What is the InChIKey of 4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is IWTJJGJMXUHJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-15(2)7-10-3-5-16(6-4-10)8-11-9-17-12(13)14-11/h9-10H,3-8H2,1-2H3,(H2,13,14).
What are the key properties of 4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 254.40 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 54986069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).