4-methyl-3-(tetrazol-1-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]aniline

C13H14N6S — CID 115928952

IUPAC4-methyl-3-(tetrazol-1-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
SMILESCc1ccc(NC(C)c2cscn2)cc1-n1cnnn1
InChIInChI=1S/C13H14N6S/c1-9-3-4-11(5-13(9)19-7-15-17-18-19)16-10(2)12-6-20-8-14-12/h3-8,10,16H,1-2H3
InChIKeyRRYWFSMVJSGSEZ-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.60
Rot. Bonds4

About 4-methyl-3-(tetrazol-1-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]aniline

4-methyl-3-(tetrazol-1-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]aniline (PubChem CID 115928952) has the molecular formula C13H14N6S and a molecular weight of 286.36 g/mol. Its IUPAC name is 4-methyl-3-(tetrazol-1-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]aniline.

Molecular Properties

Compound Name4-methyl-3-(tetrazol-1-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
PubChem CID115928952
Molecular FormulaC13H14N6S
Molecular Weight286.36 g/mol
Exact Mass286.10
IUPAC Name4-methyl-3-(tetrazol-1-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
SMILESCc1ccc(NC(C)c2cscn2)cc1-n1cnnn1
InChIInChI=1S/C13H14N6S/c1-9-3-4-11(5-13(9)19-7-15-17-18-19)16-10(2)12-6-20-8-14-12/h3-8,10,16H,1-2H3
InChIKeyRRYWFSMVJSGSEZ-UHFFFAOYSA-N
XLogP2.60
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-3-(tetrazol-1-yl)aniline
CID 63990478
2-methyl-3-[4-methyl-3-(tetrazol-1-yl)anilino]butan-2-ol
CID 65338038
3-ethyl-4-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
CID 114250121
N-(1-cyclopropylpropyl)-4-methyl-3-(tetrazol-1-yl)aniline
CID 64920339
2-[4-methyl-3-(tetrazol-1-yl)anilino]butanoic acid
CID 115352922
3-chloro-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 62728665
3-methyl-N-(3-methylbutan-2-yl)-4-(tetrazol-1-yl)aniline
CID 43732899
N-(2,2-dimethoxyethyl)-4-methyl-3-(tetrazol-1-yl)aniline
CID 55231877
4-methyl-3-(tetrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62758879
N'-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441751
4-fluoro-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
CID 115916752
4-methyl-N-pentyl-3-(tetrazol-1-yl)aniline
CID 43738043

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(tetrazol-1-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]aniline?
The IUPAC name of 4-methyl-3-(tetrazol-1-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]aniline (CID 115928952) is 4-methyl-3-(tetrazol-1-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]aniline.
What is the SMILES notation for 4-methyl-3-(tetrazol-1-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]aniline?
The canonical SMILES for 4-methyl-3-(tetrazol-1-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]aniline is Cc1ccc(NC(C)c2cscn2)cc1-n1cnnn1.
What is the InChIKey of 4-methyl-3-(tetrazol-1-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]aniline?
The InChIKey is RRYWFSMVJSGSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6S/c1-9-3-4-11(5-13(9)19-7-15-17-18-19)16-10(2)12-6-20-8-14-12/h3-8,10,16H,1-2H3.
What are the key properties of 4-methyl-3-(tetrazol-1-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]aniline?
4-methyl-3-(tetrazol-1-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]aniline has a molecular weight of 286.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(tetrazol-1-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]aniline is sourced from PubChem (CID 115928952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).