[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone

C15H18N2O2S2 — CID 115966049

IUPAC[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(-c2ccsc2)sc1C(=O)N1CCC(C(C)O)C1
InChIInChI=1S/C15H18N2O2S2/c1-9-13(21-14(16-9)12-4-6-20-8-12)15(19)17-5-3-11(7-17)10(2)18/h4,6,8,10-11,18H,3,5,7H2,1-2H3
InChIKeyLMTHZNCNZOLSAN-UHFFFAOYSA-N
MW322.46 g/mol
LogP3.02
Rot. Bonds3

About [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone

[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone (PubChem CID 115966049) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.46 g/mol. Its IUPAC name is [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
PubChem CID115966049
Molecular FormulaC15H18N2O2S2
Molecular Weight322.46 g/mol
Exact Mass322.08
IUPAC Name[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(-c2ccsc2)sc1C(=O)N1CCC(C(C)O)C1
InChIInChI=1S/C15H18N2O2S2/c1-9-13(21-14(16-9)12-4-6-20-8-12)15(19)17-5-3-11(7-17)10(2)18/h4,6,8,10-11,18H,3,5,7H2,1-2H3
InChIKeyLMTHZNCNZOLSAN-UHFFFAOYSA-N
XLogP3.02
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-N-propylpiperidine-3-carboxamide
CID 49402410
2,2-dimethyl-1-[4-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]propan-1-one
CID 134021678
N,N-diethyl-2-[4-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide
CID 46547101
(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 51237618
[(2R,5S)-2,5-dimethylmorpholin-4-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
CID 94051410
[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 119519108
[4-(2-fluorophenyl)piperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
CID 26584846
[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
CID 9077341
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
CID 46421205
(2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 104872448
(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone
CID 134026927
N-ethyl-2-[4-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 55912564

Frequently Asked Questions

What is the IUPAC name of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone (CID 115966049) is [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone is Cc1nc(-c2ccsc2)sc1C(=O)N1CCC(C(C)O)C1.
What is the InChIKey of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is LMTHZNCNZOLSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-9-13(21-14(16-9)12-4-6-20-8-12)15(19)17-5-3-11(7-17)10(2)18/h4,6,8,10-11,18H,3,5,7H2,1-2H3.
What are the key properties of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone?
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 322.46 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 115966049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).