1-[4-amino-2-(ethylamino)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide

C12H19N5O2S — CID 116668333

IUPAC1-[4-amino-2-(ethylamino)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide
SMILESCCNc1nc(N)c(C(=O)N2CCC(C(N)=O)CC2)s1
InChIInChI=1S/C12H19N5O2S/c1-2-15-12-16-9(13)8(20-12)11(19)17-5-3-7(4-6-17)10(14)18/h7H,2-6,13H2,1H3,(H2,14,18)(H,15,16)
InChIKeyFOMMAICFZPIIPM-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.49
Rot. Bonds4

About 1-[4-amino-2-(ethylamino)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide

1-[4-amino-2-(ethylamino)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide (PubChem CID 116668333) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-[4-amino-2-(ethylamino)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-amino-2-(ethylamino)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide
PubChem CID116668333
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC Name1-[4-amino-2-(ethylamino)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide
SMILESCCNc1nc(N)c(C(=O)N2CCC(C(N)=O)CC2)s1
InChIInChI=1S/C12H19N5O2S/c1-2-15-12-16-9(13)8(20-12)11(19)17-5-3-7(4-6-17)10(14)18/h7H,2-6,13H2,1H3,(H2,14,18)(H,15,16)
InChIKeyFOMMAICFZPIIPM-UHFFFAOYSA-N
XLogP0.49
TPSA114.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504889
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 116670409
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114802978
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 116671004
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(1,4-diazepan-1-yl)methanone
CID 116662886
[4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(4-ethylpiperidin-1-yl)methanone
CID 116663187
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]methanone
CID 116671227
[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 116667391
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504884
1-[4-amino-2-(methylamino)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide
CID 116667373
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 116672250
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 116668339

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-(ethylamino)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-amino-2-(ethylamino)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide (CID 116668333) is 1-[4-amino-2-(ethylamino)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-amino-2-(ethylamino)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-amino-2-(ethylamino)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide is CCNc1nc(N)c(C(=O)N2CCC(C(N)=O)CC2)s1.
What is the InChIKey of 1-[4-amino-2-(ethylamino)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide?
The InChIKey is FOMMAICFZPIIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c1-2-15-12-16-9(13)8(20-12)11(19)17-5-3-7(4-6-17)10(14)18/h7H,2-6,13H2,1H3,(H2,14,18)(H,15,16).
What are the key properties of 1-[4-amino-2-(ethylamino)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide?
1-[4-amino-2-(ethylamino)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2-(ethylamino)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 116668333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).