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

C11H18N4OS — CID 103380794

IUPAC3-amino-5-(4-ethylpiperidin-1-yl)-1,2-thiazole-4-carboxamide
SMILESCCC1CCN(c2snc(N)c2C(N)=O)CC1
InChIInChI=1S/C11H18N4OS/c1-2-7-3-5-15(6-4-7)11-8(10(13)16)9(12)14-17-11/h7H,2-6H2,1H3,(H2,12,14)(H2,13,16)
InChIKeyHTJBZPJJMHDWLP-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.45
Rot. Bonds3

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

3-amino-5-(4-ethylpiperidin-1-yl)-1,2-thiazole-4-carboxamide (PubChem CID 103380794) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 3-amino-5-(4-ethylpiperidin-1-yl)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-(4-ethylpiperidin-1-yl)-1,2-thiazole-4-carboxamide
PubChem CID103380794
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name3-amino-5-(4-ethylpiperidin-1-yl)-1,2-thiazole-4-carboxamide
SMILESCCC1CCN(c2snc(N)c2C(N)=O)CC1
InChIInChI=1S/C11H18N4OS/c1-2-7-3-5-15(6-4-7)11-8(10(13)16)9(12)14-17-11/h7H,2-6H2,1H3,(H2,12,14)(H2,13,16)
InChIKeyHTJBZPJJMHDWLP-UHFFFAOYSA-N
XLogP1.45
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-cyclopropyl-5-(4-ethylpiperidin-1-yl)-1,2-thiazole-4-carboxamide
CID 103380799
3-amino-5-(4-ethylpiperazin-1-yl)-1,2-thiazole-4-carboxamide
CID 103381043
3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazole-4-carboxamide
CID 103380877
5-(4-acetylpiperazin-1-yl)-3-amino-1,2-thiazole-4-carboxamide
CID 103381005
3-amino-5-(4-ethylpiperidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103361819
3-amino-5-(3-propoxypiperidin-1-yl)-1,2-thiazole-4-carboxamide
CID 103380843
3-amino-N-cyclopropyl-5-(3-propylpyrrolidin-1-yl)-1,2-thiazole-4-carboxamide
CID 103384031
methyl 3-amino-5-(4-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxylate
CID 103381026
3-amino-5-(4-ethylazepan-1-yl)-1,2-thiazole-4-carbonitrile
CID 103382060
3-amino-5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-methyl-1,2-thiazole-4-carboxamide
CID 103384788
N-[[1-(3-amino-4-methoxy-1,2-thiazol-5-yl)piperidin-4-yl]methyl]acetamide
CID 103384866
3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methyl-1,2-thiazole-4-carboxamide
CID 103380880

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-ethylpiperidin-1-yl)-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-(4-ethylpiperidin-1-yl)-1,2-thiazole-4-carboxamide (CID 103380794) is 3-amino-5-(4-ethylpiperidin-1-yl)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-(4-ethylpiperidin-1-yl)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-(4-ethylpiperidin-1-yl)-1,2-thiazole-4-carboxamide is CCC1CCN(c2snc(N)c2C(N)=O)CC1.
What is the InChIKey of 3-amino-5-(4-ethylpiperidin-1-yl)-1,2-thiazole-4-carboxamide?
The InChIKey is HTJBZPJJMHDWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-2-7-3-5-15(6-4-7)11-8(10(13)16)9(12)14-17-11/h7H,2-6H2,1H3,(H2,12,14)(H2,13,16).
What are the key properties of 3-amino-5-(4-ethylpiperidin-1-yl)-1,2-thiazole-4-carboxamide?
3-amino-5-(4-ethylpiperidin-1-yl)-1,2-thiazole-4-carboxamide has a molecular weight of 254.36 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-ethylpiperidin-1-yl)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103380794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).