4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine

C9H15N3S — CID 115021188

IUPAC4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
SMILESCN1CCC(c2csc(N)n2)CC1
InChIInChI=1S/C9H15N3S/c1-12-4-2-7(3-5-12)8-6-13-9(10)11-8/h6-7H,2-5H2,1H3,(H2,10,11)
InChIKeyZZEVCVZPUQUMOO-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.53
Rot. Bonds1

About 4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine

4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine (PubChem CID 115021188) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
PubChem CID115021188
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
SMILESCN1CCC(c2csc(N)n2)CC1
InChIInChI=1S/C9H15N3S/c1-12-4-2-7(3-5-12)8-6-13-9(10)11-8/h6-7H,2-5H2,1H3,(H2,10,11)
InChIKeyZZEVCVZPUQUMOO-UHFFFAOYSA-N
XLogP1.53
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine (CID 115021188) is 4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine is CN1CCC(c2csc(N)n2)CC1.
What is the InChIKey of 4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine?
The InChIKey is ZZEVCVZPUQUMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-12-4-2-7(3-5-12)8-6-13-9(10)11-8/h6-7H,2-5H2,1H3,(H2,10,11).
What are the key properties of 4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine?
4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine has a molecular weight of 197.31 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 115021188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).