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

C14H24N4O2S — CID 107229399

IUPAC[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESCCN(C)c1nc(N)c(C(=O)N2CCCC(CCO)C2)s1
InChIInChI=1S/C14H24N4O2S/c1-3-17(2)14-16-12(15)11(21-14)13(20)18-7-4-5-10(9-18)6-8-19/h10,19H,3-9,15H2,1-2H3
InChIKeyUTHRJPHXRFORJG-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.42
Rot. Bonds5

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

[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 107229399) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is [4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID107229399
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESCCN(C)c1nc(N)c(C(=O)N2CCCC(CCO)C2)s1
InChIInChI=1S/C14H24N4O2S/c1-3-17(2)14-16-12(15)11(21-14)13(20)18-7-4-5-10(9-18)6-8-19/h10,19H,3-9,15H2,1-2H3
InChIKeyUTHRJPHXRFORJG-UHFFFAOYSA-N
XLogP1.42
TPSA82.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107229398
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(4-ethylazepan-1-yl)methanone
CID 116666847
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(3,4-dimethylpiperidin-1-yl)methanone
CID 116673615
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 116665720
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 116670407
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106674692
[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3-propylpyrrolidin-1-yl)methanone
CID 116672457
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(2,6-dimethylpiperidin-1-yl)methanone
CID 116668941
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(1,4-oxazepan-4-yl)methanone
CID 116665736
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(2-ethylmorpholin-4-yl)methanone
CID 116670210
4-amino-N-(cyclopentylmethyl)-2-[ethyl(methyl)amino]-N-methyl-1,3-thiazole-5-carboxamide
CID 116666232
[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3-ethylpyrrolidin-1-yl)methanone
CID 116672441

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of [4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 107229399) is [4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone is CCN(C)c1nc(N)c(C(=O)N2CCCC(CCO)C2)s1.
What is the InChIKey of [4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is UTHRJPHXRFORJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-3-17(2)14-16-12(15)11(21-14)13(20)18-7-4-5-10(9-18)6-8-19/h10,19H,3-9,15H2,1-2H3.
What are the key properties of [4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 312.44 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 107229399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).