[2-(1-aminopropyl)-1,3-thiazol-4-yl]-(2,5-dihydropyrrol-1-yl)methanone

C11H15N3OS — CID 3834282

IUPAC[2-(1-aminopropyl)-1,3-thiazol-4-yl]-(2,5-dihydropyrrol-1-yl)methanone
SMILESCCC(N)c1nc(C(=O)N2CC=CC2)cs1
InChIInChI=1S/C11H15N3OS/c1-2-8(12)10-13-9(7-16-10)11(15)14-5-3-4-6-14/h3-4,7-8H,2,5-6,12H2,1H3
InChIKeyOPMDZXYTFMVPBY-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.56
Rot. Bonds3

About [2-(1-aminopropyl)-1,3-thiazol-4-yl]-(2,5-dihydropyrrol-1-yl)methanone

[2-(1-aminopropyl)-1,3-thiazol-4-yl]-(2,5-dihydropyrrol-1-yl)methanone (PubChem CID 3834282) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is [2-(1-aminopropyl)-1,3-thiazol-4-yl]-(2,5-dihydropyrrol-1-yl)methanone.

Molecular Properties

Compound Name[2-(1-aminopropyl)-1,3-thiazol-4-yl]-(2,5-dihydropyrrol-1-yl)methanone
PubChem CID3834282
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name[2-(1-aminopropyl)-1,3-thiazol-4-yl]-(2,5-dihydropyrrol-1-yl)methanone
SMILESCCC(N)c1nc(C(=O)N2CC=CC2)cs1
InChIInChI=1S/C11H15N3OS/c1-2-8(12)10-13-9(7-16-10)11(15)14-5-3-4-6-14/h3-4,7-8H,2,5-6,12H2,1H3
InChIKeyOPMDZXYTFMVPBY-UHFFFAOYSA-N
XLogP1.56
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[2-(1-amino-2-phenylethyl)-1,3-thiazol-4-yl]-(2,5-dihydropyrrol-1-yl)methanone
CID 3813109
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103495456
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 107217663
4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-N-ethylpiperazine-1-carboxamide
CID 66388121
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114409151
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114409397
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 3773363
2-[(1S,2S)-1-amino-2-methylbutyl]-1,3-thiazole-4-carboxamide
CID 68749134
1-[4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone
CID 110694205
methyl 4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate
CID 66388535
(1S)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 42078005
[2-(1-aminobutyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 3713443

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminopropyl)-1,3-thiazol-4-yl]-(2,5-dihydropyrrol-1-yl)methanone?
The IUPAC name of [2-(1-aminopropyl)-1,3-thiazol-4-yl]-(2,5-dihydropyrrol-1-yl)methanone (CID 3834282) is [2-(1-aminopropyl)-1,3-thiazol-4-yl]-(2,5-dihydropyrrol-1-yl)methanone.
What is the SMILES notation for [2-(1-aminopropyl)-1,3-thiazol-4-yl]-(2,5-dihydropyrrol-1-yl)methanone?
The canonical SMILES for [2-(1-aminopropyl)-1,3-thiazol-4-yl]-(2,5-dihydropyrrol-1-yl)methanone is CCC(N)c1nc(C(=O)N2CC=CC2)cs1.
What is the InChIKey of [2-(1-aminopropyl)-1,3-thiazol-4-yl]-(2,5-dihydropyrrol-1-yl)methanone?
The InChIKey is OPMDZXYTFMVPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-2-8(12)10-13-9(7-16-10)11(15)14-5-3-4-6-14/h3-4,7-8H,2,5-6,12H2,1H3.
What are the key properties of [2-(1-aminopropyl)-1,3-thiazol-4-yl]-(2,5-dihydropyrrol-1-yl)methanone?
[2-(1-aminopropyl)-1,3-thiazol-4-yl]-(2,5-dihydropyrrol-1-yl)methanone has a molecular weight of 237.33 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminopropyl)-1,3-thiazol-4-yl]-(2,5-dihydropyrrol-1-yl)methanone is sourced from PubChem (CID 3834282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).