(4-amino-2-methylpiperidin-1-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone

C12H19N3OS — CID 113269109

IUPAC(4-amino-2-methylpiperidin-1-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(C)c(C(=O)N2CCC(N)CC2C)s1
InChIInChI=1S/C12H19N3OS/c1-7-6-10(13)4-5-15(7)12(16)11-8(2)14-9(3)17-11/h7,10H,4-6,13H2,1-3H3
InChIKeyBORZSCAVSVCFTF-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.71
Rot. Bonds1

About (4-amino-2-methylpiperidin-1-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone

(4-amino-2-methylpiperidin-1-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone (PubChem CID 113269109) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is (4-amino-2-methylpiperidin-1-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name(4-amino-2-methylpiperidin-1-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
PubChem CID113269109
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name(4-amino-2-methylpiperidin-1-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(C)c(C(=O)N2CCC(N)CC2C)s1
InChIInChI=1S/C12H19N3OS/c1-7-6-10(13)4-5-15(7)12(16)11-8(2)14-9(3)17-11/h7,10H,4-6,13H2,1-3H3
InChIKeyBORZSCAVSVCFTF-UHFFFAOYSA-N
XLogP1.71
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methylpiperidin-1-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of (4-amino-2-methylpiperidin-1-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone (CID 113269109) is (4-amino-2-methylpiperidin-1-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for (4-amino-2-methylpiperidin-1-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for (4-amino-2-methylpiperidin-1-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone is Cc1nc(C)c(C(=O)N2CCC(N)CC2C)s1.
What is the InChIKey of (4-amino-2-methylpiperidin-1-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
The InChIKey is BORZSCAVSVCFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-7-6-10(13)4-5-15(7)12(16)11-8(2)14-9(3)17-11/h7,10H,4-6,13H2,1-3H3.
What are the key properties of (4-amino-2-methylpiperidin-1-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
(4-amino-2-methylpiperidin-1-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone has a molecular weight of 253.37 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methylpiperidin-1-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 113269109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).