N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]pyrrol-1-amine

C13H11ClN2S2 — CID 79091085

IUPACN-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]pyrrol-1-amine
SMILESClc1ccc(C(Nn2cccc2)c2cccs2)s1
InChIInChI=1S/C13H11ClN2S2/c14-12-6-5-11(18-12)13(10-4-3-9-17-10)15-16-7-1-2-8-16/h1-9,13,15H
InChIKeyQFFNWCIUEDIZLE-UHFFFAOYSA-N
MW294.83 g/mol
LogP4.60
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]pyrrol-1-amine

N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]pyrrol-1-amine (PubChem CID 79091085) has the molecular formula C13H11ClN2S2 and a molecular weight of 294.83 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]pyrrol-1-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]pyrrol-1-amine
PubChem CID79091085
Molecular FormulaC13H11ClN2S2
Molecular Weight294.83 g/mol
Exact Mass294.01
IUPAC NameN-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]pyrrol-1-amine
SMILESClc1ccc(C(Nn2cccc2)c2cccs2)s1
InChIInChI=1S/C13H11ClN2S2/c14-12-6-5-11(18-12)13(10-4-3-9-17-10)15-16-7-1-2-8-16/h1-9,13,15H
InChIKeyQFFNWCIUEDIZLE-UHFFFAOYSA-N
XLogP4.60
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]ethanamine
CID 43491982
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-methoxyethanamine
CID 43756293
4-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]phenol
CID 43790408
2-chloro-5-propan-2-ylthiophene;2-propan-2-ylthiophene
CID 165073785
2-chloro-5-[chloro(thiophen-2-yl)methyl]thiophene
CID 61084392
2-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]-3-methylbutan-1-ol
CID 79254049
2-chloro-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-6-methylaniline
CID 66252073
(5-chlorothiophen-2-yl)-thiophen-2-ylmethanol
CID 43234424
(R)-(5-chlorothiophen-2-yl)-thiophen-2-ylmethanol
CID 93029791
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-imidazol-1-ylethanamine
CID 61324705
4-bromo-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-fluoroaniline
CID 43759777
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]pent-4-en-2-amine
CID 113466404

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]pyrrol-1-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]pyrrol-1-amine (CID 79091085) is N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]pyrrol-1-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]pyrrol-1-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]pyrrol-1-amine is Clc1ccc(C(Nn2cccc2)c2cccs2)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]pyrrol-1-amine?
The InChIKey is QFFNWCIUEDIZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2S2/c14-12-6-5-11(18-12)13(10-4-3-9-17-10)15-16-7-1-2-8-16/h1-9,13,15H.
What are the key properties of N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]pyrrol-1-amine?
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]pyrrol-1-amine has a molecular weight of 294.83 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]pyrrol-1-amine is sourced from PubChem (CID 79091085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).