N-ethyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]ethanamine

C15H23N3S — CID 79098248

IUPACN-ethyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]ethanamine
SMILESCCCc1nc(Cn2ccc(C(C)NCC)c2)cs1
InChIInChI=1S/C15H23N3S/c1-4-6-15-17-14(11-19-15)10-18-8-7-13(9-18)12(3)16-5-2/h7-9,11-12,16H,4-6,10H2,1-3H3
InChIKeyWLQOQXHNKHAHSG-UHFFFAOYSA-N
MW277.44 g/mol
LogP3.62
Rot. Bonds7

About N-ethyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]ethanamine

N-ethyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]ethanamine (PubChem CID 79098248) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is N-ethyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]ethanamine
PubChem CID79098248
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC NameN-ethyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]ethanamine
SMILESCCCc1nc(Cn2ccc(C(C)NCC)c2)cs1
InChIInChI=1S/C15H23N3S/c1-4-6-15-17-14(11-19-15)10-18-8-7-13(9-18)12(3)16-5-2/h7-9,11-12,16H,4-6,10H2,1-3H3
InChIKeyWLQOQXHNKHAHSG-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]butan-1-amine
CID 79108454
cyclopropyl-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methanol
CID 79103726
2-methyl-N-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine
CID 66405985
N-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 60726594
1-[1-(1-benzothiophen-3-ylmethyl)pyrrol-3-yl]-N-ethylethanamine
CID 79099864
N,2-dimethyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79096969
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrole-3-carbaldehyde
CID 66410097
N-ethyl-1-[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-3-yl]ethanamine
CID 79099771
2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]acetonitrile
CID 79099547
(2R)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95278974
N-[1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]ethyl]propan-1-amine
CID 79099452
1-[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrol-3-yl]-N-ethylethanamine
CID 79109001

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]ethanamine (CID 79098248) is N-ethyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]ethanamine is CCCc1nc(Cn2ccc(C(C)NCC)c2)cs1.
What is the InChIKey of N-ethyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]ethanamine?
The InChIKey is WLQOQXHNKHAHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-4-6-15-17-14(11-19-15)10-18-8-7-13(9-18)12(3)16-5-2/h7-9,11-12,16H,4-6,10H2,1-3H3.
What are the key properties of N-ethyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]ethanamine?
N-ethyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]ethanamine has a molecular weight of 277.44 g/mol, XLogP of 3.62, 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-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]ethanamine is sourced from PubChem (CID 79098248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).