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

C11H18N4O2S — CID 103359055

IUPAC[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
SMILESCN(C)c1nc(N)c(C(=O)N2CCC(C)(O)C2)s1
InChIInChI=1S/C11H18N4O2S/c1-11(17)4-5-15(6-11)9(16)7-8(12)13-10(18-7)14(2)3/h17H,4-6,12H2,1-3H3
InChIKeyVLLCCDVTCURGDZ-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.39
Rot. Bonds2

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

[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone (PubChem CID 103359055) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
PubChem CID103359055
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
SMILESCN(C)c1nc(N)c(C(=O)N2CCC(C)(O)C2)s1
InChIInChI=1S/C11H18N4O2S/c1-11(17)4-5-15(6-11)9(16)7-8(12)13-10(18-7)14(2)3/h17H,4-6,12H2,1-3H3
InChIKeyVLLCCDVTCURGDZ-UHFFFAOYSA-N
XLogP0.39
TPSA82.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(4,4-dimethylazepan-1-yl)methanone
CID 116667195
[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]-(3,3-dimethylpiperidin-1-yl)methanone
CID 116666684
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(4-tert-butylpiperidin-1-yl)methanone
CID 116665166
[4-amino-2-[methyl(propyl)amino]-1,3-thiazol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone
CID 116666687
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104961942
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]methanone
CID 116671231
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114461648
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(2,2-dimethylthiomorpholin-4-yl)methanone
CID 116673581
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107396564
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(7,7-dimethyl-1,4-thiazepan-4-yl)methanone
CID 107460347
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 116665893

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone (CID 103359055) is [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone is CN(C)c1nc(N)c(C(=O)N2CCC(C)(O)C2)s1.
What is the InChIKey of [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The InChIKey is VLLCCDVTCURGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-11(17)4-5-15(6-11)9(16)7-8(12)13-10(18-7)14(2)3/h17H,4-6,12H2,1-3H3.
What are the key properties of [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone has a molecular weight of 270.36 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 103359055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).