2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrrol-1-amine

C11H15N3S — CID 79091110

IUPAC2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrrol-1-amine
SMILESCc1ccc(C)n1NC(C)c1nccs1
InChIInChI=1S/C11H15N3S/c1-8-4-5-9(2)14(8)13-10(3)11-12-6-7-15-11/h4-7,10,13H,1-3H3
InChIKeyIBLWNEYBSNDJBW-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.87
Rot. Bonds3

About 2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrrol-1-amine

2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrrol-1-amine (PubChem CID 79091110) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrrol-1-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrrol-1-amine
PubChem CID79091110
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrrol-1-amine
SMILESCc1ccc(C)n1NC(C)c1nccs1
InChIInChI=1S/C11H15N3S/c1-8-4-5-9(2)14(8)13-10(3)11-12-6-7-15-11/h4-7,10,13H,1-3H3
InChIKeyIBLWNEYBSNDJBW-UHFFFAOYSA-N
XLogP2.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-[1-(3-methylthiophen-2-yl)ethyl]pyrrol-1-amine
CID 79100998
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CID 46785150
(2R)-3-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]butan-2-amine
CID 95366812
N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine
CID 63612751
(1S)-1-(3-methylphenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 81364053
3-bromo-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 115928704
N-[2-(2-methylphenyl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 79763407
N-[(5-methyl-2-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 80709978
N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149
4-phenyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993028
2-fluoro-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]aniline
CID 96824348
2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64988089

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrrol-1-amine?
The IUPAC name of 2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrrol-1-amine (CID 79091110) is 2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrrol-1-amine.
What is the SMILES notation for 2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrrol-1-amine?
The canonical SMILES for 2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrrol-1-amine is Cc1ccc(C)n1NC(C)c1nccs1.
What is the InChIKey of 2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrrol-1-amine?
The InChIKey is IBLWNEYBSNDJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-8-4-5-9(2)14(8)13-10(3)11-12-6-7-15-11/h4-7,10,13H,1-3H3.
What are the key properties of 2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrrol-1-amine?
2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrrol-1-amine has a molecular weight of 221.33 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrrol-1-amine is sourced from PubChem (CID 79091110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).