[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone

C14H24N4OS — CID 103504889

IUPAC[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCCNc1nc(N)c(C(=O)N2CCC(C(C)C)CC2)s1
InChIInChI=1S/C14H24N4OS/c1-4-16-14-17-12(15)11(20-14)13(19)18-7-5-10(6-8-18)9(2)3/h9-10H,4-8,15H2,1-3H3,(H,16,17)
InChIKeyXSFYGAHAXCZISJ-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.67
Rot. Bonds4

About [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone

[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone (PubChem CID 103504889) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
PubChem CID103504889
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCCNc1nc(N)c(C(=O)N2CCC(C(C)C)CC2)s1
InChIInChI=1S/C14H24N4OS/c1-4-16-14-17-12(15)11(20-14)13(19)18-7-5-10(6-8-18)9(2)3/h9-10H,4-8,15H2,1-3H3,(H,16,17)
InChIKeyXSFYGAHAXCZISJ-UHFFFAOYSA-N
XLogP2.67
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504884
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 116670409
1-[4-amino-2-(ethylamino)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide
CID 116668333
[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]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114802978
[4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 116672564
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(1,4-diazepan-1-yl)methanone
CID 116662886
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]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 116672270
[4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(4-ethylpiperidin-1-yl)methanone
CID 116663187
[4-amino-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-[3-(aminomethyl)pyrrolidin-1-yl]methanone
CID 116665156

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone?
The IUPAC name of [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone (CID 103504889) is [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone is CCNc1nc(N)c(C(=O)N2CCC(C(C)C)CC2)s1.
What is the InChIKey of [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone?
The InChIKey is XSFYGAHAXCZISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-4-16-14-17-12(15)11(20-14)13(19)18-7-5-10(6-8-18)9(2)3/h9-10H,4-8,15H2,1-3H3,(H,16,17).
What are the key properties of [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone?
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone has a molecular weight of 296.44 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 103504889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).