4-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrrole-2-carboxamide

C11H12ClN3OS — CID 106033230

IUPAC4-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)NCCc2ccc(Cl)s2)c1
InChIInChI=1S/C11H12ClN3OS/c12-10-2-1-8(17-10)3-4-14-11(16)9-5-7(13)6-15-9/h1-2,5-6,15H,3-4,13H2,(H,14,16)
InChIKeyFDWQATLDVLEEQZ-UHFFFAOYSA-N
MW269.76 g/mol
LogP2.28
Rot. Bonds4

About 4-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrrole-2-carboxamide

4-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 106033230) has the molecular formula C11H12ClN3OS and a molecular weight of 269.76 g/mol. Its IUPAC name is 4-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrrole-2-carboxamide
PubChem CID106033230
Molecular FormulaC11H12ClN3OS
Molecular Weight269.76 g/mol
Exact Mass269.04
IUPAC Name4-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)NCCc2ccc(Cl)s2)c1
InChIInChI=1S/C11H12ClN3OS/c12-10-2-1-8(17-10)3-4-14-11(16)9-5-7(13)6-15-9/h1-2,5-6,15H,3-4,13H2,(H,14,16)
InChIKeyFDWQATLDVLEEQZ-UHFFFAOYSA-N
XLogP2.28
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.76
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-indole-2-carboxamide
CID 106033368
4-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 30124717
2-(5-chlorothiophen-2-yl)ethylcarbamic acid
CID 115171101
5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-dimethylbenzamide
CID 106033391
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-carboxamide
CID 106050315
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide
CID 103809483
5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-difluorobenzamide
CID 106033258
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide;hydrochloride
CID 119296190
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-ethoxybenzamide
CID 106033344
3-[2-(5-chlorothiophen-2-yl)ethylamino]-3-oxopropanoic acid
CID 104889314
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxybenzamide
CID 106033320
(2S)-2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]propanamide
CID 103630177

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrrole-2-carboxamide (CID 106033230) is 4-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrrole-2-carboxamide is Nc1c[nH]c(C(=O)NCCc2ccc(Cl)s2)c1.
What is the InChIKey of 4-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is FDWQATLDVLEEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3OS/c12-10-2-1-8(17-10)3-4-14-11(16)9-5-7(13)6-15-9/h1-2,5-6,15H,3-4,13H2,(H,14,16).
What are the key properties of 4-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrrole-2-carboxamide?
4-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 269.76 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 106033230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).