[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-(3-methylmorpholin-4-yl)methanone

C15H19N3O2S — CID 78896744

IUPAC[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-(3-methylmorpholin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCOCC2C)c(C)n1-c1nccs1
InChIInChI=1S/C15H19N3O2S/c1-10-8-13(12(3)18(10)15-16-4-7-21-15)14(19)17-5-6-20-9-11(17)2/h4,7-8,11H,5-6,9H2,1-3H3
InChIKeyFDKOMPFZPYJVQO-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.41
Rot. Bonds2

About [2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-(3-methylmorpholin-4-yl)methanone

[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-(3-methylmorpholin-4-yl)methanone (PubChem CID 78896744) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is [2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-(3-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-(3-methylmorpholin-4-yl)methanone
PubChem CID78896744
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-(3-methylmorpholin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCOCC2C)c(C)n1-c1nccs1
InChIInChI=1S/C15H19N3O2S/c1-10-8-13(12(3)18(10)15-16-4-7-21-15)14(19)17-5-6-20-9-11(17)2/h4,7-8,11H,5-6,9H2,1-3H3
InChIKeyFDKOMPFZPYJVQO-UHFFFAOYSA-N
XLogP2.41
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 78881427
(2R)-1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]piperidine-2-carboxylic acid
CID 99639870
[2-(aminomethyl)pyrrolidin-1-yl]-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methanone;dihydrochloride
CID 119633469
(4-aminopiperidin-1-yl)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methanone;dihydrochloride
CID 119375646
[2-(1-aminoethyl)piperidin-1-yl]-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methanone;dihydrochloride
CID 119436699
(3-aminopiperidin-1-yl)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methanone
CID 119380340
[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119545631
[3-(aminomethyl)pyrrolidin-1-yl]-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methanone
CID 119486018
[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 78864960
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methanone
CID 120803731
N-ethyl-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78886012
N,N-diethyl-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78881613

Frequently Asked Questions

What is the IUPAC name of [2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-(3-methylmorpholin-4-yl)methanone?
The IUPAC name of [2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-(3-methylmorpholin-4-yl)methanone (CID 78896744) is [2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-(3-methylmorpholin-4-yl)methanone.
What is the SMILES notation for [2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-(3-methylmorpholin-4-yl)methanone?
The canonical SMILES for [2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-(3-methylmorpholin-4-yl)methanone is Cc1cc(C(=O)N2CCOCC2C)c(C)n1-c1nccs1.
What is the InChIKey of [2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-(3-methylmorpholin-4-yl)methanone?
The InChIKey is FDKOMPFZPYJVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10-8-13(12(3)18(10)15-16-4-7-21-15)14(19)17-5-6-20-9-11(17)2/h4,7-8,11H,5-6,9H2,1-3H3.
What are the key properties of [2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-(3-methylmorpholin-4-yl)methanone?
[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-(3-methylmorpholin-4-yl)methanone has a molecular weight of 305.40 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-(3-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 78896744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).