N-(1H-pyrrol-3-ylmethyl)-2-thiophen-2-ylaniline

C15H14N2S — CID 66408303

IUPACN-(1H-pyrrol-3-ylmethyl)-2-thiophen-2-ylaniline
SMILESc1csc(-c2ccccc2NCc2cc[nH]c2)c1
InChIInChI=1S/C15H14N2S/c1-2-5-14(17-11-12-7-8-16-10-12)13(4-1)15-6-3-9-18-15/h1-10,16-17H,11H2
InChIKeySQGMFUWOOFRHAH-UHFFFAOYSA-N
MW254.36 g/mol
LogP4.36
Rot. Bonds4

About N-(1H-pyrrol-3-ylmethyl)-2-thiophen-2-ylaniline

N-(1H-pyrrol-3-ylmethyl)-2-thiophen-2-ylaniline (PubChem CID 66408303) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is N-(1H-pyrrol-3-ylmethyl)-2-thiophen-2-ylaniline.

Molecular Properties

Compound NameN-(1H-pyrrol-3-ylmethyl)-2-thiophen-2-ylaniline
PubChem CID66408303
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC NameN-(1H-pyrrol-3-ylmethyl)-2-thiophen-2-ylaniline
SMILESc1csc(-c2ccccc2NCc2cc[nH]c2)c1
InChIInChI=1S/C15H14N2S/c1-2-5-14(17-11-12-7-8-16-10-12)13(4-1)15-6-3-9-18-15/h1-10,16-17H,11H2
InChIKeySQGMFUWOOFRHAH-UHFFFAOYSA-N
XLogP4.36
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylaniline
CID 106528366
N-[(3-chlorophenyl)methyl]-2-thiophen-2-ylaniline
CID 43724527
2-[4-[(2-thiophen-2-ylanilino)methyl]pyrazol-1-yl]ethanol
CID 64828814
N-[(2-chlorophenyl)methyl]-2-thiophen-2-ylaniline
CID 43233651
N-[(3-bromo-4-chlorophenyl)methyl]-2-thiophen-2-ylaniline
CID 83232608
N-(3-phenylpropyl)-2-thiophen-2-ylaniline
CID 43724448
4-[(2-thiophen-2-ylanilino)methyl]benzene-1,3-diol
CID 43724508
1-(1H-pyrrol-3-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 66407617
N-ethyl-2-(1H-pyrrol-3-ylmethylamino)benzenesulfonamide
CID 66410475
N,N-dimethyl-2-(1H-pyrrol-3-ylmethylamino)benzamide
CID 66408086
2-prop-2-enylsulfanyl-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66409401
2-(1H-indol-3-yl)-N-(2-thiophen-2-ylphenyl)acetamide
CID 17398563

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrrol-3-ylmethyl)-2-thiophen-2-ylaniline?
The IUPAC name of N-(1H-pyrrol-3-ylmethyl)-2-thiophen-2-ylaniline (CID 66408303) is N-(1H-pyrrol-3-ylmethyl)-2-thiophen-2-ylaniline.
What is the SMILES notation for N-(1H-pyrrol-3-ylmethyl)-2-thiophen-2-ylaniline?
The canonical SMILES for N-(1H-pyrrol-3-ylmethyl)-2-thiophen-2-ylaniline is c1csc(-c2ccccc2NCc2cc[nH]c2)c1.
What is the InChIKey of N-(1H-pyrrol-3-ylmethyl)-2-thiophen-2-ylaniline?
The InChIKey is SQGMFUWOOFRHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c1-2-5-14(17-11-12-7-8-16-10-12)13(4-1)15-6-3-9-18-15/h1-10,16-17H,11H2.
What are the key properties of N-(1H-pyrrol-3-ylmethyl)-2-thiophen-2-ylaniline?
N-(1H-pyrrol-3-ylmethyl)-2-thiophen-2-ylaniline has a molecular weight of 254.36 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrrol-3-ylmethyl)-2-thiophen-2-ylaniline is sourced from PubChem (CID 66408303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).