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

C9H15N3S — CID 130831630

IUPAC1-(2-methyl-1,3-thiazol-4-yl)piperidin-4-amine
SMILESCc1nc(N2CCC(N)CC2)cs1
InChIInChI=1S/C9H15N3S/c1-7-11-9(6-13-7)12-4-2-8(10)3-5-12/h6,8H,2-5,10H2,1H3
InChIKeyWNPYCSBHTRWGMD-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.38
Rot. Bonds1

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

1-(2-methyl-1,3-thiazol-4-yl)piperidin-4-amine (PubChem CID 130831630) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 1-(2-methyl-1,3-thiazol-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2-methyl-1,3-thiazol-4-yl)piperidin-4-amine
PubChem CID130831630
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name1-(2-methyl-1,3-thiazol-4-yl)piperidin-4-amine
SMILESCc1nc(N2CCC(N)CC2)cs1
InChIInChI=1S/C9H15N3S/c1-7-11-9(6-13-7)12-4-2-8(10)3-5-12/h6,8H,2-5,10H2,1H3
InChIKeyWNPYCSBHTRWGMD-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)piperidin-4-amine?
The IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)piperidin-4-amine (CID 130831630) is 1-(2-methyl-1,3-thiazol-4-yl)piperidin-4-amine.
What is the SMILES notation for 1-(2-methyl-1,3-thiazol-4-yl)piperidin-4-amine?
The canonical SMILES for 1-(2-methyl-1,3-thiazol-4-yl)piperidin-4-amine is Cc1nc(N2CCC(N)CC2)cs1.
What is the InChIKey of 1-(2-methyl-1,3-thiazol-4-yl)piperidin-4-amine?
The InChIKey is WNPYCSBHTRWGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-7-11-9(6-13-7)12-4-2-8(10)3-5-12/h6,8H,2-5,10H2,1H3.
What are the key properties of 1-(2-methyl-1,3-thiazol-4-yl)piperidin-4-amine?
1-(2-methyl-1,3-thiazol-4-yl)piperidin-4-amine has a molecular weight of 197.31 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-thiazol-4-yl)piperidin-4-amine is sourced from PubChem (CID 130831630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).