2-[[2-chloro-5-(tetrazol-1-yl)anilino]methyl]thiophen-3-amine

C12H11ClN6S — CID 66386543

IUPAC2-[[2-chloro-5-(tetrazol-1-yl)anilino]methyl]thiophen-3-amine
SMILESNc1ccsc1CNc1cc(-n2cnnn2)ccc1Cl
InChIInChI=1S/C12H11ClN6S/c13-9-2-1-8(19-7-16-17-18-19)5-11(9)15-6-12-10(14)3-4-20-12/h1-5,7,15H,6,14H2
InChIKeyLQDPCHQYTHCEBC-UHFFFAOYSA-N
MW306.78 g/mol
LogP2.57
Rot. Bonds4

About 2-[[2-chloro-5-(tetrazol-1-yl)anilino]methyl]thiophen-3-amine

2-[[2-chloro-5-(tetrazol-1-yl)anilino]methyl]thiophen-3-amine (PubChem CID 66386543) has the molecular formula C12H11ClN6S and a molecular weight of 306.78 g/mol. Its IUPAC name is 2-[[2-chloro-5-(tetrazol-1-yl)anilino]methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[[2-chloro-5-(tetrazol-1-yl)anilino]methyl]thiophen-3-amine
PubChem CID66386543
Molecular FormulaC12H11ClN6S
Molecular Weight306.78 g/mol
Exact Mass306.05
IUPAC Name2-[[2-chloro-5-(tetrazol-1-yl)anilino]methyl]thiophen-3-amine
SMILESNc1ccsc1CNc1cc(-n2cnnn2)ccc1Cl
InChIInChI=1S/C12H11ClN6S/c13-9-2-1-8(19-7-16-17-18-19)5-11(9)15-6-12-10(14)3-4-20-12/h1-5,7,15H,6,14H2
InChIKeyLQDPCHQYTHCEBC-UHFFFAOYSA-N
XLogP2.57
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.78
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-N-[(4-chlorophenyl)methyl]-5-(tetrazol-1-yl)aniline
CID 43697927
2-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-(tetrazol-1-yl)aniline
CID 43700233
2-chloro-N-[(2-fluorophenyl)methyl]-5-(tetrazol-1-yl)aniline
CID 43698278
N-[(3-bromothiophen-2-yl)methyl]-2-fluoro-5-(tetrazol-1-yl)aniline
CID 115380162
2-chloro-N-[(5-methyl-2-pyridinyl)methyl]-5-(tetrazol-1-yl)aniline
CID 81308331
2-chloro-N-(cyclopentylmethyl)-5-(tetrazol-1-yl)aniline
CID 62072086
3-[(3-aminothiophen-2-yl)methylamino]-4-chloro-N-methylbenzamide
CID 66387552
2-[[2-chloro-5-(tetrazol-1-yl)anilino]methyl]-2-ethylbutan-1-ol
CID 81401098
2-[(2,5-dichloro-4-methylanilino)methyl]thiophen-3-amine
CID 113445815
N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoro-5-(tetrazol-1-yl)aniline
CID 55820884
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 50777053
2-chloro-N-(3-methylbutan-2-yl)-5-(tetrazol-1-yl)aniline
CID 43698130

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-5-(tetrazol-1-yl)anilino]methyl]thiophen-3-amine?
The IUPAC name of 2-[[2-chloro-5-(tetrazol-1-yl)anilino]methyl]thiophen-3-amine (CID 66386543) is 2-[[2-chloro-5-(tetrazol-1-yl)anilino]methyl]thiophen-3-amine.
What is the SMILES notation for 2-[[2-chloro-5-(tetrazol-1-yl)anilino]methyl]thiophen-3-amine?
The canonical SMILES for 2-[[2-chloro-5-(tetrazol-1-yl)anilino]methyl]thiophen-3-amine is Nc1ccsc1CNc1cc(-n2cnnn2)ccc1Cl.
What is the InChIKey of 2-[[2-chloro-5-(tetrazol-1-yl)anilino]methyl]thiophen-3-amine?
The InChIKey is LQDPCHQYTHCEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN6S/c13-9-2-1-8(19-7-16-17-18-19)5-11(9)15-6-12-10(14)3-4-20-12/h1-5,7,15H,6,14H2.
What are the key properties of 2-[[2-chloro-5-(tetrazol-1-yl)anilino]methyl]thiophen-3-amine?
2-[[2-chloro-5-(tetrazol-1-yl)anilino]methyl]thiophen-3-amine has a molecular weight of 306.78 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-5-(tetrazol-1-yl)anilino]methyl]thiophen-3-amine is sourced from PubChem (CID 66386543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).