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

C11H18N4OS — CID 102768981

IUPAC3-[(5-amino-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one
SMILESNc1cnc(NCCC(=O)N2CCCCC2)s1
InChIInChI=1S/C11H18N4OS/c12-9-8-14-11(17-9)13-5-4-10(16)15-6-2-1-3-7-15/h8H,1-7,12H2,(H,13,14)
InChIKeyWATRDUGKBMVCIH-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.54
Rot. Bonds4

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

3-[(5-amino-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one (PubChem CID 102768981) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 3-[(5-amino-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(5-amino-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one
PubChem CID102768981
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name3-[(5-amino-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one
SMILESNc1cnc(NCCC(=O)N2CCCCC2)s1
InChIInChI=1S/C11H18N4OS/c12-9-8-14-11(17-9)13-5-4-10(16)15-6-2-1-3-7-15/h8H,1-7,12H2,(H,13,14)
InChIKeyWATRDUGKBMVCIH-UHFFFAOYSA-N
XLogP1.54
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-aminopyrazin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 113411675
3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 113254660
1-pyrrolidin-1-yl-3-(1,2,4-thiadiazol-5-ylamino)propan-1-one
CID 115777368
3-[(5-bromopyrimidin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 115619264
3-[(5-bromo-3-methyl-2-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one
CID 112699008
1-morpholin-4-yl-3-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-1-one
CID 133370153
1-pyrrolidin-1-yl-3-(thieno[2,3-d]pyrimidin-4-ylamino)propan-1-one
CID 39948758
3-[(3-amino-5-chloro-4-pyridinyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 114285890
3-[(5-amino-1,3-thiazol-2-yl)amino]propan-1-ol
CID 87787723
3-[(5-aminoisoquinolin-8-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 103139100
3-[(2-cyclopropylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 133297412
3-[(5-acetyl-2-pyridinyl)amino]-1-(azepan-1-yl)propan-1-one
CID 136519955

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[(5-amino-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one (CID 102768981) is 3-[(5-amino-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(5-amino-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[(5-amino-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one is Nc1cnc(NCCC(=O)N2CCCCC2)s1.
What is the InChIKey of 3-[(5-amino-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is WATRDUGKBMVCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c12-9-8-14-11(17-9)13-5-4-10(16)15-6-2-1-3-7-15/h8H,1-7,12H2,(H,13,14).
What are the key properties of 3-[(5-amino-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one?
3-[(5-amino-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 254.36 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 102768981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).