4-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-3-(tetrazol-1-yl)aniline

C15H17N5S — CID 63990478

IUPAC4-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-3-(tetrazol-1-yl)aniline
SMILESCc1ccc(NC(C)c2sccc2C)cc1-n1cnnn1
InChIInChI=1S/C15H17N5S/c1-10-4-5-13(8-14(10)20-9-16-18-19-20)17-12(3)15-11(2)6-7-21-15/h4-9,12,17H,1-3H3
InChIKeyKXQXNQVUWMNPOQ-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.51
Rot. Bonds4

About 4-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-3-(tetrazol-1-yl)aniline

4-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-3-(tetrazol-1-yl)aniline (PubChem CID 63990478) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-3-(tetrazol-1-yl)aniline.

Molecular Properties

Compound Name4-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-3-(tetrazol-1-yl)aniline
PubChem CID63990478
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC Name4-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-3-(tetrazol-1-yl)aniline
SMILESCc1ccc(NC(C)c2sccc2C)cc1-n1cnnn1
InChIInChI=1S/C15H17N5S/c1-10-4-5-13(8-14(10)20-9-16-18-19-20)17-12(3)15-11(2)6-7-21-15/h4-9,12,17H,1-3H3
InChIKeyKXQXNQVUWMNPOQ-UHFFFAOYSA-N
XLogP3.51
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-3-(tetrazol-1-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
CID 115928952
N-[1-(3-methylthiophen-2-yl)ethyl]-2-(tetrazol-1-yl)aniline
CID 63992655
2-methyl-3-[4-methyl-3-(tetrazol-1-yl)anilino]butan-2-ol
CID 65338038
N-(2,2-dimethoxyethyl)-4-methyl-3-(tetrazol-1-yl)aniline
CID 55231877
N'-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441751
2-[4-methyl-3-(tetrazol-1-yl)anilino]butanoic acid
CID 115352922
N-(1-cyclopropylpropyl)-4-methyl-3-(tetrazol-1-yl)aniline
CID 64920339
3-methyl-N-(3-methylbutan-2-yl)-4-(tetrazol-1-yl)aniline
CID 43732899
4-methyl-3-(tetrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62758879
4-methyl-N-pentyl-3-(tetrazol-1-yl)aniline
CID 43738043
3-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)aniline
CID 43683983
3-chloro-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 62728665

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-3-(tetrazol-1-yl)aniline?
The IUPAC name of 4-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-3-(tetrazol-1-yl)aniline (CID 63990478) is 4-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-3-(tetrazol-1-yl)aniline.
What is the SMILES notation for 4-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-3-(tetrazol-1-yl)aniline?
The canonical SMILES for 4-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-3-(tetrazol-1-yl)aniline is Cc1ccc(NC(C)c2sccc2C)cc1-n1cnnn1.
What is the InChIKey of 4-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-3-(tetrazol-1-yl)aniline?
The InChIKey is KXQXNQVUWMNPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S/c1-10-4-5-13(8-14(10)20-9-16-18-19-20)17-12(3)15-11(2)6-7-21-15/h4-9,12,17H,1-3H3.
What are the key properties of 4-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-3-(tetrazol-1-yl)aniline?
4-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-3-(tetrazol-1-yl)aniline has a molecular weight of 299.40 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-3-(tetrazol-1-yl)aniline is sourced from PubChem (CID 63990478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).