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

C13H22N4O2S — CID 107229398

IUPAC[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESCN(C)c1nc(N)c(C(=O)N2CCCC(CCO)C2)s1
InChIInChI=1S/C13H22N4O2S/c1-16(2)13-15-11(14)10(20-13)12(19)17-6-3-4-9(8-17)5-7-18/h9,18H,3-8,14H2,1-2H3
InChIKeyTYIHWKCEEUPBOJ-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.03
Rot. Bonds4

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

[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 107229398) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID107229398
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESCN(C)c1nc(N)c(C(=O)N2CCCC(CCO)C2)s1
InChIInChI=1S/C13H22N4O2S/c1-16(2)13-15-11(14)10(20-13)12(19)17-6-3-4-9(8-17)5-7-18/h9,18H,3-8,14H2,1-2H3
InChIKeyTYIHWKCEEUPBOJ-UHFFFAOYSA-N
XLogP1.03
TPSA82.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107229399
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 116667002
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]-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 116665893
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 116665413
[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3-propylpyrrolidin-1-yl)methanone
CID 116672457
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 116666571
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(4-ethylazepan-1-yl)methanone
CID 116666847
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114802978
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(4,4-dimethylazepan-1-yl)methanone
CID 116667195
[4-amino-2-(cyclobutylamino)-1,3-thiazol-5-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 116670425
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(4-tert-butylpiperidin-1-yl)methanone
CID 116665166

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 107229398) is [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone is CN(C)c1nc(N)c(C(=O)N2CCCC(CCO)C2)s1.
What is the InChIKey of [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is TYIHWKCEEUPBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-16(2)13-15-11(14)10(20-13)12(19)17-6-3-4-9(8-17)5-7-18/h9,18H,3-8,14H2,1-2H3.
What are the key properties of [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 298.41 g/mol, XLogP of 1.03, 4 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-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 107229398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).