(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-morpholin-4-ylmethanone

C13H15N3O2S — CID 20889810

IUPAC(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-morpholin-4-ylmethanone
SMILESCc1nc(-n2cccc2)sc1C(=O)N1CCOCC1
InChIInChI=1S/C13H15N3O2S/c1-10-11(12(17)15-6-8-18-9-7-15)19-13(14-10)16-4-2-3-5-16/h2-5H,6-9H2,1H3
InChIKeyYCAOQENBOVJJQK-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.71
Rot. Bonds2

About (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-morpholin-4-ylmethanone

(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-morpholin-4-ylmethanone (PubChem CID 20889810) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-morpholin-4-ylmethanone
PubChem CID20889810
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-morpholin-4-ylmethanone
SMILESCc1nc(-n2cccc2)sc1C(=O)N1CCOCC1
InChIInChI=1S/C13H15N3O2S/c1-10-11(12(17)15-6-8-18-9-7-15)19-13(14-10)16-4-2-3-5-16/h2-5H,6-9H2,1H3
InChIKeyYCAOQENBOVJJQK-UHFFFAOYSA-N
XLogP1.71
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1,1-dioxo-1,4-thiazinan-4-yl)-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone
CID 155505815
(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 71792940
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone
CID 42571680
[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone
CID 121162324
(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
CID 91814760
(4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)-morpholin-4-ylmethanone
CID 17395345
N,4-dimethyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 53013907
4-cyclopentyl-2-methyl-5-[1-(4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 121114780
[4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
CID 110389286
[(7S)-7-(2-fluorophenyl)-1,1-dioxo-1,4-thiazepan-4-yl]-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone
CID 129357899
[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone
CID 71809434
(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone
CID 122272631

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-morpholin-4-ylmethanone?
The IUPAC name of (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-morpholin-4-ylmethanone (CID 20889810) is (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-morpholin-4-ylmethanone is Cc1nc(-n2cccc2)sc1C(=O)N1CCOCC1.
What is the InChIKey of (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-morpholin-4-ylmethanone?
The InChIKey is YCAOQENBOVJJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-10-11(12(17)15-6-8-18-9-7-15)19-13(14-10)16-4-2-3-5-16/h2-5H,6-9H2,1H3.
What are the key properties of (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-morpholin-4-ylmethanone?
(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-morpholin-4-ylmethanone has a molecular weight of 277.35 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 20889810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).