N-[1-(5-chlorothiophen-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)aniline

C14H14ClN5S — CID 102976943

IUPACN-[1-(5-chlorothiophen-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)aniline
SMILESCc1nnnn1-c1cccc(NC(C)c2csc(Cl)c2)c1
InChIInChI=1S/C14H14ClN5S/c1-9(11-6-14(15)21-8-11)16-12-4-3-5-13(7-12)20-10(2)17-18-19-20/h3-9,16H,1-2H3
InChIKeyHWYUVJOGHIXYLR-UHFFFAOYSA-N
MW319.82 g/mol
LogP3.86
Rot. Bonds4

About N-[1-(5-chlorothiophen-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)aniline

N-[1-(5-chlorothiophen-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)aniline (PubChem CID 102976943) has the molecular formula C14H14ClN5S and a molecular weight of 319.82 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)aniline
PubChem CID102976943
Molecular FormulaC14H14ClN5S
Molecular Weight319.82 g/mol
Exact Mass319.07
IUPAC NameN-[1-(5-chlorothiophen-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)aniline
SMILESCc1nnnn1-c1cccc(NC(C)c2csc(Cl)c2)c1
InChIInChI=1S/C14H14ClN5S/c1-9(11-6-14(15)21-8-11)16-12-4-3-5-13(7-12)20-10(2)17-18-19-20/h3-9,16H,1-2H3
InChIKeyHWYUVJOGHIXYLR-UHFFFAOYSA-N
XLogP3.86
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.82
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(furan-2-yl)ethyl]-3-(5-methyltetrazol-1-yl)aniline
CID 43734008
N-[1-(5-chlorothiophen-3-yl)ethyl]-3-ethynylaniline
CID 114082603
N-(2-methylbutyl)-3-(5-methyltetrazol-1-yl)aniline
CID 43733948
1-[3-(5-methyltetrazol-1-yl)phenyl]ethanamine
CID 43829237
N-[(4-bromothiophen-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 43734028
6-chloro-7-methoxy-3-[1-[3-(5-methyltetrazol-1-yl)anilino]ethyl]-1H-quinolin-2-one
CID 135378403
[3-(5-methyltetrazol-1-yl)phenyl]thiourea
CID 169356763
N-[1-(furan-2-yl)propyl]-3-(5-methyltetrazol-1-yl)aniline
CID 62633991
3-(5-methyltetrazol-1-yl)-N-prop-2-ynylaniline
CID 63951883
(2S)-2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide
CID 61178099
2-methylsulfanyl-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 47329361
N-[1-(5-chlorothiophen-3-yl)ethyl]-4-fluoroaniline
CID 102976781

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)aniline?
The IUPAC name of N-[1-(5-chlorothiophen-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)aniline (CID 102976943) is N-[1-(5-chlorothiophen-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)aniline.
What is the SMILES notation for N-[1-(5-chlorothiophen-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)aniline?
The canonical SMILES for N-[1-(5-chlorothiophen-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)aniline is Cc1nnnn1-c1cccc(NC(C)c2csc(Cl)c2)c1.
What is the InChIKey of N-[1-(5-chlorothiophen-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)aniline?
The InChIKey is HWYUVJOGHIXYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5S/c1-9(11-6-14(15)21-8-11)16-12-4-3-5-13(7-12)20-10(2)17-18-19-20/h3-9,16H,1-2H3.
What are the key properties of N-[1-(5-chlorothiophen-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)aniline?
N-[1-(5-chlorothiophen-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)aniline has a molecular weight of 319.82 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)aniline is sourced from PubChem (CID 102976943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).