3-amino-5-(3-propoxypiperidin-1-yl)-1,2-thiazole-4-carboxamide

C12H20N4O2S — CID 103380843

IUPAC3-amino-5-(3-propoxypiperidin-1-yl)-1,2-thiazole-4-carboxamide
SMILESCCCOC1CCCN(c2snc(N)c2C(N)=O)C1
InChIInChI=1S/C12H20N4O2S/c1-2-6-18-8-4-3-5-16(7-8)12-9(11(14)17)10(13)15-19-12/h8H,2-7H2,1H3,(H2,13,15)(H2,14,17)
InChIKeyDVPBSSDYGIQAKG-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.22
Rot. Bonds5

About 3-amino-5-(3-propoxypiperidin-1-yl)-1,2-thiazole-4-carboxamide

3-amino-5-(3-propoxypiperidin-1-yl)-1,2-thiazole-4-carboxamide (PubChem CID 103380843) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-amino-5-(3-propoxypiperidin-1-yl)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-(3-propoxypiperidin-1-yl)-1,2-thiazole-4-carboxamide
PubChem CID103380843
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name3-amino-5-(3-propoxypiperidin-1-yl)-1,2-thiazole-4-carboxamide
SMILESCCCOC1CCCN(c2snc(N)c2C(N)=O)C1
InChIInChI=1S/C12H20N4O2S/c1-2-6-18-8-4-3-5-16(7-8)12-9(11(14)17)10(13)15-19-12/h8H,2-7H2,1H3,(H2,13,15)(H2,14,17)
InChIKeyDVPBSSDYGIQAKG-UHFFFAOYSA-N
XLogP1.22
TPSA94.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-ethoxypiperidin-1-yl)-4-methyl-1,2-thiazol-3-amine
CID 103361875
3-amino-5-(4-ethylpiperidin-1-yl)-1,2-thiazole-4-carboxamide
CID 103380794
3-amino-5-(4-ethylpiperazin-1-yl)-1,2-thiazole-4-carboxamide
CID 103381043
4-ethylsulfonyl-5-(3-methoxypiperidin-1-yl)-1,2-thiazol-3-amine
CID 103365873
1-[5-(3-propoxypiperidin-1-yl)furan-2-yl]ethanone
CID 113437384
6-(3-propoxypiperidin-1-yl)pyrazine-2-carboxylic acid
CID 66450862
5-chloro-6-[(3S)-3-propoxypiperidin-1-yl]pyridine-3-carboxamide
CID 95099262
ethyl 3-amino-5-(2-methyl-1,4-oxazepan-4-yl)-1,2-thiazole-4-carboxylate
CID 103381673
1-[2-amino-4-(3-propoxypiperidin-1-yl)phenyl]ethanone
CID 104528611
2-bromo-5-(3-propoxypiperidin-1-yl)-1,3,4-thiadiazole
CID 64624316
4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 62764272
methyl 3-amino-5-[3-(dimethylamino)piperidin-1-yl]-1,2-thiazole-4-carboxylate
CID 103382204

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3-propoxypiperidin-1-yl)-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-(3-propoxypiperidin-1-yl)-1,2-thiazole-4-carboxamide (CID 103380843) is 3-amino-5-(3-propoxypiperidin-1-yl)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-(3-propoxypiperidin-1-yl)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-(3-propoxypiperidin-1-yl)-1,2-thiazole-4-carboxamide is CCCOC1CCCN(c2snc(N)c2C(N)=O)C1.
What is the InChIKey of 3-amino-5-(3-propoxypiperidin-1-yl)-1,2-thiazole-4-carboxamide?
The InChIKey is DVPBSSDYGIQAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-2-6-18-8-4-3-5-16(7-8)12-9(11(14)17)10(13)15-19-12/h8H,2-7H2,1H3,(H2,13,15)(H2,14,17).
What are the key properties of 3-amino-5-(3-propoxypiperidin-1-yl)-1,2-thiazole-4-carboxamide?
3-amino-5-(3-propoxypiperidin-1-yl)-1,2-thiazole-4-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3-propoxypiperidin-1-yl)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103380843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).