4-methyl-3-(tetrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)aniline

C12H12N6S — CID 62758879

IUPAC4-methyl-3-(tetrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)aniline
SMILESCc1ccc(NCc2cncs2)cc1-n1cnnn1
InChIInChI=1S/C12H12N6S/c1-9-2-3-10(14-6-11-5-13-8-19-11)4-12(9)18-7-15-16-17-18/h2-5,7-8,14H,6H2,1H3
InChIKeyCBIGWZAUNKRMQR-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.04
Rot. Bonds4

About 4-methyl-3-(tetrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)aniline

4-methyl-3-(tetrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)aniline (PubChem CID 62758879) has the molecular formula C12H12N6S and a molecular weight of 272.34 g/mol. Its IUPAC name is 4-methyl-3-(tetrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)aniline.

Molecular Properties

Compound Name4-methyl-3-(tetrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)aniline
PubChem CID62758879
Molecular FormulaC12H12N6S
Molecular Weight272.34 g/mol
Exact Mass272.08
IUPAC Name4-methyl-3-(tetrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)aniline
SMILESCc1ccc(NCc2cncs2)cc1-n1cnnn1
InChIInChI=1S/C12H12N6S/c1-9-2-3-10(14-6-11-5-13-8-19-11)4-12(9)18-7-15-16-17-18/h2-5,7-8,14H,6H2,1H3
InChIKeyCBIGWZAUNKRMQR-UHFFFAOYSA-N
XLogP2.04
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-N-(pyrimidin-5-ylmethyl)-3-(tetrazol-1-yl)aniline
CID 62760471
[4-[[4-methyl-3-(tetrazol-1-yl)anilino]methyl]phenyl]methanol
CID 110006499
N-[(5-chlorofuran-2-yl)methyl]-4-methyl-3-(tetrazol-1-yl)aniline
CID 60780934
2-(tetrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62759060
4-methyl-N-pentyl-3-(tetrazol-1-yl)aniline
CID 43738043
N-[(6-bromo-2-pyridinyl)methyl]-4-methyl-3-(tetrazol-1-yl)aniline
CID 115938074
N-[(1-ethylimidazol-2-yl)methyl]-4-methyl-3-(tetrazol-1-yl)aniline
CID 62351165
N-(2,2-dimethoxyethyl)-4-methyl-3-(tetrazol-1-yl)aniline
CID 55231877
4-methyl-N-(2-phenylethyl)-3-(tetrazol-1-yl)aniline
CID 43738071
4-methyl-N-[(5-methyloxolan-2-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 82835839
N'-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441751
3-methyl-4-(tetrazol-1-yl)-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63655002

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(tetrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)aniline?
The IUPAC name of 4-methyl-3-(tetrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)aniline (CID 62758879) is 4-methyl-3-(tetrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)aniline.
What is the SMILES notation for 4-methyl-3-(tetrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)aniline?
The canonical SMILES for 4-methyl-3-(tetrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)aniline is Cc1ccc(NCc2cncs2)cc1-n1cnnn1.
What is the InChIKey of 4-methyl-3-(tetrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)aniline?
The InChIKey is CBIGWZAUNKRMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6S/c1-9-2-3-10(14-6-11-5-13-8-19-11)4-12(9)18-7-15-16-17-18/h2-5,7-8,14H,6H2,1H3.
What are the key properties of 4-methyl-3-(tetrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)aniline?
4-methyl-3-(tetrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)aniline has a molecular weight of 272.34 g/mol, XLogP of 2.04, 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-(1,3-thiazol-5-ylmethyl)aniline is sourced from PubChem (CID 62758879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).