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

C13H23N5OS — CID 116670409

IUPAC[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
SMILESCCNc1nc(N)c(C(=O)N2CCC(N(C)C)CC2)s1
InChIInChI=1S/C13H23N5OS/c1-4-15-13-16-11(14)10(20-13)12(19)18-7-5-9(6-8-18)17(2)3/h9H,4-8,14H2,1-3H3,(H,15,16)
InChIKeyFUFJVWPUWYTSFM-UHFFFAOYSA-N
MW297.43 g/mol
LogP1.32
Rot. Bonds4

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

[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[4-(dimethylamino)piperidin-1-yl]methanone (PubChem CID 116670409) has the molecular formula C13H23N5OS and a molecular weight of 297.43 g/mol. Its IUPAC name is [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[4-(dimethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
PubChem CID116670409
Molecular FormulaC13H23N5OS
Molecular Weight297.43 g/mol
Exact Mass297.16
IUPAC Name[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
SMILESCCNc1nc(N)c(C(=O)N2CCC(N(C)C)CC2)s1
InChIInChI=1S/C13H23N5OS/c1-4-15-13-16-11(14)10(20-13)12(19)18-7-5-9(6-8-18)17(2)3/h9H,4-8,14H2,1-3H3,(H,15,16)
InChIKeyFUFJVWPUWYTSFM-UHFFFAOYSA-N
XLogP1.32
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 51.32
H-Bond Donors ≤ 52
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
1-[4-amino-2-(ethylamino)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide
CID 116668333
[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-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 116670407
[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-(ethylamino)-1,3-thiazol-5-yl]-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 116672250
[4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(4-ethylpiperidin-1-yl)methanone
CID 116663187
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504884
4-amino-N-(cyclobutylmethyl)-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116665637

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[4-(dimethylamino)piperidin-1-yl]methanone?
The IUPAC name of [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[4-(dimethylamino)piperidin-1-yl]methanone (CID 116670409) is [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[4-(dimethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[4-(dimethylamino)piperidin-1-yl]methanone?
The canonical SMILES for [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[4-(dimethylamino)piperidin-1-yl]methanone is CCNc1nc(N)c(C(=O)N2CCC(N(C)C)CC2)s1.
What is the InChIKey of [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[4-(dimethylamino)piperidin-1-yl]methanone?
The InChIKey is FUFJVWPUWYTSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5OS/c1-4-15-13-16-11(14)10(20-13)12(19)18-7-5-9(6-8-18)17(2)3/h9H,4-8,14H2,1-3H3,(H,15,16).
What are the key properties of [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[4-(dimethylamino)piperidin-1-yl]methanone?
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[4-(dimethylamino)piperidin-1-yl]methanone has a molecular weight of 297.43 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[4-(dimethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 116670409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).