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

C15H23N3S — CID 79109742

IUPACN-ethyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine
SMILESCCCC(NCC)c1ccn(Cc2cnc(C)s2)c1
InChIInChI=1S/C15H23N3S/c1-4-6-15(16-5-2)13-7-8-18(10-13)11-14-9-17-12(3)19-14/h7-10,15-16H,4-6,11H2,1-3H3
InChIKeyLCNLENGYGSFTIU-UHFFFAOYSA-N
MW277.44 g/mol
LogP3.75
Rot. Bonds7

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

N-ethyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine (PubChem CID 79109742) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is N-ethyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine
PubChem CID79109742
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC NameN-ethyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine
SMILESCCCC(NCC)c1ccn(Cc2cnc(C)s2)c1
InChIInChI=1S/C15H23N3S/c1-4-6-15(16-5-2)13-7-8-18(10-13)11-14-9-17-12(3)19-14/h7-10,15-16H,4-6,11H2,1-3H3
InChIKeyLCNLENGYGSFTIU-UHFFFAOYSA-N
XLogP3.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]butan-1-ol
CID 79109998
1-[1-[(5-bromothiophen-2-yl)methyl]pyrrol-3-yl]-N-ethylbutan-1-amine
CID 79108463
N-ethyl-1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]butan-1-amine
CID 79108123
1-[1-[(4-bromophenyl)methyl]pyrrol-3-yl]-N-ethylbutan-1-amine
CID 79108311
cyclopropyl-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]methanol
CID 79103631
N-ethyl-1-[1-(methoxymethyl)pyrrol-3-yl]butan-1-amine
CID 79107829
1-[1-[(2-bromophenyl)methyl]pyrrol-3-yl]-N-ethylbutan-1-amine
CID 79109118
1-[1-[(5-ethylthiophen-2-yl)methyl]pyrrol-3-yl]-N-methylbutan-1-amine
CID 79109274
1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]ethanone
CID 79106608
N-ethyl-1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-amine
CID 79108905
N-ethyl-1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]butan-1-amine
CID 79109421
N-ethyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]butan-1-amine
CID 79109741

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine?
The IUPAC name of N-ethyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine (CID 79109742) is N-ethyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine.
What is the SMILES notation for N-ethyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine?
The canonical SMILES for N-ethyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine is CCCC(NCC)c1ccn(Cc2cnc(C)s2)c1.
What is the InChIKey of N-ethyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine?
The InChIKey is LCNLENGYGSFTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-4-6-15(16-5-2)13-7-8-18(10-13)11-14-9-17-12(3)19-14/h7-10,15-16H,4-6,11H2,1-3H3.
What are the key properties of N-ethyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine?
N-ethyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine has a molecular weight of 277.44 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine is sourced from PubChem (CID 79109742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).