4-methyl-5-(1-propylpiperidin-4-yl)-1,3-thiazol-2-amine

C12H21N3S — CID 14210418

IUPAC4-methyl-5-(1-propylpiperidin-4-yl)-1,3-thiazol-2-amine
SMILESCCCN1CCC(c2sc(N)nc2C)CC1
InChIInChI=1S/C12H21N3S/c1-3-6-15-7-4-10(5-8-15)11-9(2)14-12(13)16-11/h10H,3-8H2,1-2H3,(H2,13,14)
InChIKeySYLPSAYACYDVEY-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.62
Rot. Bonds3

About 4-methyl-5-(1-propylpiperidin-4-yl)-1,3-thiazol-2-amine

4-methyl-5-(1-propylpiperidin-4-yl)-1,3-thiazol-2-amine (PubChem CID 14210418) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 4-methyl-5-(1-propylpiperidin-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-(1-propylpiperidin-4-yl)-1,3-thiazol-2-amine
PubChem CID14210418
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name4-methyl-5-(1-propylpiperidin-4-yl)-1,3-thiazol-2-amine
SMILESCCCN1CCC(c2sc(N)nc2C)CC1
InChIInChI=1S/C12H21N3S/c1-3-6-15-7-4-10(5-8-15)11-9(2)14-12(13)16-11/h10H,3-8H2,1-2H3,(H2,13,14)
InChIKeySYLPSAYACYDVEY-UHFFFAOYSA-N
XLogP2.62
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(1-propylpiperidin-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-(1-propylpiperidin-4-yl)-1,3-thiazol-2-amine (CID 14210418) is 4-methyl-5-(1-propylpiperidin-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-(1-propylpiperidin-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-(1-propylpiperidin-4-yl)-1,3-thiazol-2-amine is CCCN1CCC(c2sc(N)nc2C)CC1.
What is the InChIKey of 4-methyl-5-(1-propylpiperidin-4-yl)-1,3-thiazol-2-amine?
The InChIKey is SYLPSAYACYDVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-3-6-15-7-4-10(5-8-15)11-9(2)14-12(13)16-11/h10H,3-8H2,1-2H3,(H2,13,14).
What are the key properties of 4-methyl-5-(1-propylpiperidin-4-yl)-1,3-thiazol-2-amine?
4-methyl-5-(1-propylpiperidin-4-yl)-1,3-thiazol-2-amine has a molecular weight of 239.39 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(1-propylpiperidin-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 14210418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).