[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone

C15H26N4OS — CID 116666684

IUPAC[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone
SMILESCCN(CC)c1nc(N)c(C(=O)N2CCCC(C)(C)C2)s1
InChIInChI=1S/C15H26N4OS/c1-5-18(6-2)14-17-12(16)11(21-14)13(20)19-9-7-8-15(3,4)10-19/h5-10,16H2,1-4H3
InChIKeyGKCJSFWKZHAGSG-UHFFFAOYSA-N
MW310.47 g/mol
LogP2.83
Rot. Bonds4

About [4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone

[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone (PubChem CID 116666684) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is [4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone
PubChem CID116666684
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone
SMILESCCN(CC)c1nc(N)c(C(=O)N2CCCC(C)(C)C2)s1
InChIInChI=1S/C15H26N4OS/c1-5-18(6-2)14-17-12(16)11(21-14)13(20)19-9-7-8-15(3,4)10-19/h5-10,16H2,1-4H3
InChIKeyGKCJSFWKZHAGSG-UHFFFAOYSA-N
XLogP2.83
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-amino-2-[methyl(propyl)amino]-1,3-thiazol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone
CID 116666687
[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 116669079
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(4,4-dimethylazepan-1-yl)methanone
CID 116667195
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107396564
[4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone
CID 116666691
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107396563
[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3-ethylpyrrolidin-1-yl)methanone
CID 116672441
[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3-propylpyrrolidin-1-yl)methanone
CID 116672457
[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3,3-dimethylmorpholin-4-yl)methanone
CID 116663294
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(2,2-dimethylthiomorpholin-4-yl)methanone
CID 116673581
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103359055
4-amino-2-(diethylamino)-N-(1-methylcyclopentyl)-1,3-thiazole-5-carboxamide
CID 116670891

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone?
The IUPAC name of [4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone (CID 116666684) is [4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for [4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone is CCN(CC)c1nc(N)c(C(=O)N2CCCC(C)(C)C2)s1.
What is the InChIKey of [4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone?
The InChIKey is GKCJSFWKZHAGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-5-18(6-2)14-17-12(16)11(21-14)13(20)19-9-7-8-15(3,4)10-19/h5-10,16H2,1-4H3.
What are the key properties of [4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone?
[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone has a molecular weight of 310.47 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 116666684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).