[2-[3-(diethylamino)pyrrolidin-1-yl]-4-ethyl-1,3-thiazol-5-yl]methanol

C14H25N3OS — CID 63520639

IUPAC[2-[3-(diethylamino)pyrrolidin-1-yl]-4-ethyl-1,3-thiazol-5-yl]methanol
SMILESCCc1nc(N2CCC(N(CC)CC)C2)sc1CO
InChIInChI=1S/C14H25N3OS/c1-4-12-13(10-18)19-14(15-12)17-8-7-11(9-17)16(5-2)6-3/h11,18H,4-10H2,1-3H3
InChIKeyMBSJKJMBAZZRCP-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.12
Rot. Bonds6

About [2-[3-(diethylamino)pyrrolidin-1-yl]-4-ethyl-1,3-thiazol-5-yl]methanol

[2-[3-(diethylamino)pyrrolidin-1-yl]-4-ethyl-1,3-thiazol-5-yl]methanol (PubChem CID 63520639) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is [2-[3-(diethylamino)pyrrolidin-1-yl]-4-ethyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[3-(diethylamino)pyrrolidin-1-yl]-4-ethyl-1,3-thiazol-5-yl]methanol
PubChem CID63520639
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name[2-[3-(diethylamino)pyrrolidin-1-yl]-4-ethyl-1,3-thiazol-5-yl]methanol
SMILESCCc1nc(N2CCC(N(CC)CC)C2)sc1CO
InChIInChI=1S/C14H25N3OS/c1-4-12-13(10-18)19-14(15-12)17-8-7-11(9-17)16(5-2)6-3/h11,18H,4-10H2,1-3H3
InChIKeyMBSJKJMBAZZRCP-UHFFFAOYSA-N
XLogP2.12
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-tert-butyl-2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methanol
CID 63520638
[4-ethyl-2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methanol
CID 62780833
[2-(3,5-dimethylpiperidin-1-yl)-4-ethyl-1,3-thiazol-5-yl]methanol
CID 62780489
(4-ethyl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methanol
CID 62778641
2-[3-(diethylamino)pyrrolidin-1-yl]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 107509382
[2-(4-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol
CID 55117427
N,N-diethyl-1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-amine
CID 154839168
2-[3-(diethylamino)pyrrolidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 63512716
[4-(methoxymethyl)-2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 107511144
4-chloro-2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-thiazole-5-carbaldehyde
CID 80688176
[2-(3-phenylpyrrolidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol
CID 62780682
(3S)-N,N-diethyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine
CID 164637805

Frequently Asked Questions

What is the IUPAC name of [2-[3-(diethylamino)pyrrolidin-1-yl]-4-ethyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[3-(diethylamino)pyrrolidin-1-yl]-4-ethyl-1,3-thiazol-5-yl]methanol (CID 63520639) is [2-[3-(diethylamino)pyrrolidin-1-yl]-4-ethyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[3-(diethylamino)pyrrolidin-1-yl]-4-ethyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[3-(diethylamino)pyrrolidin-1-yl]-4-ethyl-1,3-thiazol-5-yl]methanol is CCc1nc(N2CCC(N(CC)CC)C2)sc1CO.
What is the InChIKey of [2-[3-(diethylamino)pyrrolidin-1-yl]-4-ethyl-1,3-thiazol-5-yl]methanol?
The InChIKey is MBSJKJMBAZZRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-4-12-13(10-18)19-14(15-12)17-8-7-11(9-17)16(5-2)6-3/h11,18H,4-10H2,1-3H3.
What are the key properties of [2-[3-(diethylamino)pyrrolidin-1-yl]-4-ethyl-1,3-thiazol-5-yl]methanol?
[2-[3-(diethylamino)pyrrolidin-1-yl]-4-ethyl-1,3-thiazol-5-yl]methanol has a molecular weight of 283.44 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(diethylamino)pyrrolidin-1-yl]-4-ethyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 63520639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).