3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one

C13H21N3OS — CID 113254660

IUPAC3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one
SMILESCc1nc(NCCC(=O)N2CCCCC2)sc1C
InChIInChI=1S/C13H21N3OS/c1-10-11(2)18-13(15-10)14-7-6-12(17)16-8-4-3-5-9-16/h3-9H2,1-2H3,(H,14,15)
InChIKeyNSTJPIXVSJKZGR-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.57
Rot. Bonds4

About 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one

3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one (PubChem CID 113254660) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one
PubChem CID113254660
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one
SMILESCc1nc(NCCC(=O)N2CCCCC2)sc1C
InChIInChI=1S/C13H21N3OS/c1-10-11(2)18-13(15-10)14-7-6-12(17)16-8-4-3-5-9-16/h3-9H2,1-2H3,(H,14,15)
InChIKeyNSTJPIXVSJKZGR-UHFFFAOYSA-N
XLogP2.57
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 112698599
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 113259255
3-[(5-amino-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 102768981
3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 112696077
5-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentanamide
CID 106238769
1-pyrrolidin-1-yl-3-(1,2,4-thiadiazol-5-ylamino)propan-1-one
CID 115777368
2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethanol
CID 65169269
1-(azepan-1-yl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one
CID 109033606
1-(azepan-1-yl)-3-(2,6-dimethylanilino)propan-1-one
CID 109033510
3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanoic acid
CID 95507274
1-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 47118869
2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl carbamate
CID 83204866

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one (CID 113254660) is 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one is Cc1nc(NCCC(=O)N2CCCCC2)sc1C.
What is the InChIKey of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is NSTJPIXVSJKZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-10-11(2)18-13(15-10)14-7-6-12(17)16-8-4-3-5-9-16/h3-9H2,1-2H3,(H,14,15).
What are the key properties of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one?
3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 267.40 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 113254660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).