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

C18H19N5S2 — CID 138457525

IUPACN,N-bis[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]ethanamine
SMILESCCN(Cc1cccn1-c1nccs1)Cc1cccn1-c1nccs1
InChIInChI=1S/C18H19N5S2/c1-2-21(13-15-5-3-9-22(15)17-19-7-11-24-17)14-16-6-4-10-23(16)18-20-8-12-25-18/h3-12H,2,13-14H2,1H3
InChIKeyBTHKSMLLNYTMFU-UHFFFAOYSA-N
MW369.52 g/mol
LogP4.20
Rot. Bonds7

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

N,N-bis[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]ethanamine (PubChem CID 138457525) has the molecular formula C18H19N5S2 and a molecular weight of 369.52 g/mol. Its IUPAC name is N,N-bis[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN,N-bis[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]ethanamine
PubChem CID138457525
Molecular FormulaC18H19N5S2
Molecular Weight369.52 g/mol
Exact Mass369.11
IUPAC NameN,N-bis[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]ethanamine
SMILESCCN(Cc1cccn1-c1nccs1)Cc1cccn1-c1nccs1
InChIInChI=1S/C18H19N5S2/c1-2-21(13-15-5-3-9-22(15)17-19-7-11-24-17)14-16-6-4-10-23(16)18-20-8-12-25-18/h3-12H,2,13-14H2,1H3
InChIKeyBTHKSMLLNYTMFU-UHFFFAOYSA-N
XLogP4.20
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.52
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]ethanamine?
The IUPAC name of N,N-bis[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]ethanamine (CID 138457525) is N,N-bis[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]ethanamine.
What is the SMILES notation for N,N-bis[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]ethanamine?
The canonical SMILES for N,N-bis[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]ethanamine is CCN(Cc1cccn1-c1nccs1)Cc1cccn1-c1nccs1.
What is the InChIKey of N,N-bis[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]ethanamine?
The InChIKey is BTHKSMLLNYTMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5S2/c1-2-21(13-15-5-3-9-22(15)17-19-7-11-24-17)14-16-6-4-10-23(16)18-20-8-12-25-18/h3-12H,2,13-14H2,1H3.
What are the key properties of N,N-bis[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]ethanamine?
N,N-bis[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]ethanamine has a molecular weight of 369.52 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]ethanamine is sourced from PubChem (CID 138457525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).