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

C11H15N3S — CID 66401757

IUPACN-[[1-(1,3-thiazol-4-ylmethyl)pyrrol-2-yl]methyl]ethanamine
SMILESCCNCc1cccn1Cc1cscn1
InChIInChI=1S/C11H15N3S/c1-2-12-6-11-4-3-5-14(11)7-10-8-15-9-13-10/h3-5,8-9,12H,2,6-7H2,1H3
InChIKeyZHURNNFVYWJJNG-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.10
Rot. Bonds5

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

N-[[1-(1,3-thiazol-4-ylmethyl)pyrrol-2-yl]methyl]ethanamine (PubChem CID 66401757) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is N-[[1-(1,3-thiazol-4-ylmethyl)pyrrol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(1,3-thiazol-4-ylmethyl)pyrrol-2-yl]methyl]ethanamine
PubChem CID66401757
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC NameN-[[1-(1,3-thiazol-4-ylmethyl)pyrrol-2-yl]methyl]ethanamine
SMILESCCNCc1cccn1Cc1cscn1
InChIInChI=1S/C11H15N3S/c1-2-12-6-11-4-3-5-14(11)7-10-8-15-9-13-10/h3-5,8-9,12H,2,6-7H2,1H3
InChIKeyZHURNNFVYWJJNG-UHFFFAOYSA-N
XLogP2.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215
N-[[1-[(1-methylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 66402532
N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 66402917
N-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 66401762
N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 66403702
1-(1,3-thiazol-4-ylmethyl)pyridin-2-one
CID 115582456
N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 66402914
N-[(1-methylpyrrol-2-yl)methyl]-2-(1,3-thiazol-4-yl)acetamide
CID 110472606
N-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]ethanamine
CID 46784899
N-[(1-decylpyrrol-2-yl)methyl]ethanamine
CID 66402163
3-(1,3-thiazol-4-ylmethyl)-1H-imidazole-2-thione
CID 63831917
N-[[1-[(2-methylquinolin-4-yl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 79231737

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,3-thiazol-4-ylmethyl)pyrrol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(1,3-thiazol-4-ylmethyl)pyrrol-2-yl]methyl]ethanamine (CID 66401757) is N-[[1-(1,3-thiazol-4-ylmethyl)pyrrol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(1,3-thiazol-4-ylmethyl)pyrrol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(1,3-thiazol-4-ylmethyl)pyrrol-2-yl]methyl]ethanamine is CCNCc1cccn1Cc1cscn1.
What is the InChIKey of N-[[1-(1,3-thiazol-4-ylmethyl)pyrrol-2-yl]methyl]ethanamine?
The InChIKey is ZHURNNFVYWJJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-2-12-6-11-4-3-5-14(11)7-10-8-15-9-13-10/h3-5,8-9,12H,2,6-7H2,1H3.
What are the key properties of N-[[1-(1,3-thiazol-4-ylmethyl)pyrrol-2-yl]methyl]ethanamine?
N-[[1-(1,3-thiazol-4-ylmethyl)pyrrol-2-yl]methyl]ethanamine has a molecular weight of 221.33 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,3-thiazol-4-ylmethyl)pyrrol-2-yl]methyl]ethanamine is sourced from PubChem (CID 66401757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).