3-(2-amino-1,3-thiazol-4-yl)-1-[3-(1-hydroxycyclopropyl)piperidin-1-yl]propan-1-one

C14H21N3O2S — CID 138385355

IUPAC3-(2-amino-1,3-thiazol-4-yl)-1-[3-(1-hydroxycyclopropyl)piperidin-1-yl]propan-1-one
SMILESNc1nc(CCC(=O)N2CCCC(C3(O)CC3)C2)cs1
InChIInChI=1S/C14H21N3O2S/c15-13-16-11(9-20-13)3-4-12(18)17-7-1-2-10(8-17)14(19)5-6-14/h9-10,19H,1-8H2,(H2,15,16)
InChIKeyDUVRDRDYAWFRTO-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.42
Rot. Bonds4

About 3-(2-amino-1,3-thiazol-4-yl)-1-[3-(1-hydroxycyclopropyl)piperidin-1-yl]propan-1-one

3-(2-amino-1,3-thiazol-4-yl)-1-[3-(1-hydroxycyclopropyl)piperidin-1-yl]propan-1-one (PubChem CID 138385355) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 3-(2-amino-1,3-thiazol-4-yl)-1-[3-(1-hydroxycyclopropyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-amino-1,3-thiazol-4-yl)-1-[3-(1-hydroxycyclopropyl)piperidin-1-yl]propan-1-one
PubChem CID138385355
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name3-(2-amino-1,3-thiazol-4-yl)-1-[3-(1-hydroxycyclopropyl)piperidin-1-yl]propan-1-one
SMILESNc1nc(CCC(=O)N2CCCC(C3(O)CC3)C2)cs1
InChIInChI=1S/C14H21N3O2S/c15-13-16-11(9-20-13)3-4-12(18)17-7-1-2-10(8-17)14(19)5-6-14/h9-10,19H,1-8H2,(H2,15,16)
InChIKeyDUVRDRDYAWFRTO-UHFFFAOYSA-N
XLogP1.42
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-amino-1,3-thiazol-4-yl)-1-[(4R)-4-(dimethylamino)azepan-1-yl]propan-1-one
CID 95719680
3-(2-amino-1,3-thiazol-4-yl)-1-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 95726071
2-(2-amino-1,3-thiazol-4-yl)-1-[3-(methoxymethyl)piperidin-1-yl]ethanone
CID 106586801
(5R)-9-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95720663
9-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56906703
3-(2-amino-1,3-thiazol-4-yl)-1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-1-one
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2-(2-amino-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 62797835
3-(2-amino-1,3-thiazol-4-yl)-1-[(4S)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-hydroxyazepan-1-yl]propan-1-one
CID 124955283
1-[3-(1-hydroxycyclopropyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 138380011
3-(3,5-dimethylpyrazol-1-yl)-1-[3-(1-hydroxycyclopropyl)piperidin-1-yl]propan-1-one
CID 138381261
ethyl 1-[3-(2-methyl-1,3-thiazol-4-yl)propanoyl]piperidine-3-carboxylate
CID 110678658
3-[[(3R)-1-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]pyrrolidin-3-yl]methyl]benzamide
CID 95724796

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-1-[3-(1-hydroxycyclopropyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-1-[3-(1-hydroxycyclopropyl)piperidin-1-yl]propan-1-one (CID 138385355) is 3-(2-amino-1,3-thiazol-4-yl)-1-[3-(1-hydroxycyclopropyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-amino-1,3-thiazol-4-yl)-1-[3-(1-hydroxycyclopropyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-amino-1,3-thiazol-4-yl)-1-[3-(1-hydroxycyclopropyl)piperidin-1-yl]propan-1-one is Nc1nc(CCC(=O)N2CCCC(C3(O)CC3)C2)cs1.
What is the InChIKey of 3-(2-amino-1,3-thiazol-4-yl)-1-[3-(1-hydroxycyclopropyl)piperidin-1-yl]propan-1-one?
The InChIKey is DUVRDRDYAWFRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c15-13-16-11(9-20-13)3-4-12(18)17-7-1-2-10(8-17)14(19)5-6-14/h9-10,19H,1-8H2,(H2,15,16).
What are the key properties of 3-(2-amino-1,3-thiazol-4-yl)-1-[3-(1-hydroxycyclopropyl)piperidin-1-yl]propan-1-one?
3-(2-amino-1,3-thiazol-4-yl)-1-[3-(1-hydroxycyclopropyl)piperidin-1-yl]propan-1-one has a molecular weight of 295.41 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-thiazol-4-yl)-1-[3-(1-hydroxycyclopropyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 138385355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).