N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(tetrazol-1-yl)aniline

C12H12N6S — CID 115749259

IUPACN-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(tetrazol-1-yl)aniline
SMILESCc1csc(CNc2ccccc2-n2cnnn2)n1
InChIInChI=1S/C12H12N6S/c1-9-7-19-12(15-9)6-13-10-4-2-3-5-11(10)18-8-14-16-17-18/h2-5,7-8,13H,6H2,1H3
InChIKeyHUIRNYJBXUEYIP-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.04
Rot. Bonds4

About N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(tetrazol-1-yl)aniline

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(tetrazol-1-yl)aniline (PubChem CID 115749259) has the molecular formula C12H12N6S and a molecular weight of 272.34 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(tetrazol-1-yl)aniline
PubChem CID115749259
Molecular FormulaC12H12N6S
Molecular Weight272.34 g/mol
Exact Mass272.08
IUPAC NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(tetrazol-1-yl)aniline
SMILESCc1csc(CNc2ccccc2-n2cnnn2)n1
InChIInChI=1S/C12H12N6S/c1-9-7-19-12(15-9)6-13-10-4-2-3-5-11(10)18-8-14-16-17-18/h2-5,7-8,13H,6H2,1H3
InChIKeyHUIRNYJBXUEYIP-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

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline
CID 43702314
2-(tetrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62759060
5-[[2-(tetrazol-1-yl)anilino]methyl]thiophene-3-carboxamide
CID 79611373
N-(cyclopenten-1-ylmethyl)-2-(tetrazol-1-yl)aniline
CID 146144127
N-(3-methylsulfanylpropyl)-2-(tetrazol-1-yl)aniline
CID 43702070
N,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzenesulfonamide
CID 61044463
N-[1-(3-methylthiophen-2-yl)ethyl]-2-(tetrazol-1-yl)aniline
CID 63992655
3-[[2-(tetrazol-1-yl)anilino]methyl]benzonitrile
CID 43702183
N,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 115688049
4-methyl-2-(tetrazol-1-yl)-1,3-thiazole
CID 118649476
3-chloro-2-N,2-N-dimethyl-1-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,2-diamine
CID 115968319
[2-(tetrazol-1-yl)phenyl]thiourea
CID 169356429

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(tetrazol-1-yl)aniline?
The IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(tetrazol-1-yl)aniline (CID 115749259) is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(tetrazol-1-yl)aniline?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(tetrazol-1-yl)aniline is Cc1csc(CNc2ccccc2-n2cnnn2)n1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(tetrazol-1-yl)aniline?
The InChIKey is HUIRNYJBXUEYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6S/c1-9-7-19-12(15-9)6-13-10-4-2-3-5-11(10)18-8-14-16-17-18/h2-5,7-8,13H,6H2,1H3.
What are the key properties of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(tetrazol-1-yl)aniline?
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(tetrazol-1-yl)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 N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(tetrazol-1-yl)aniline is sourced from PubChem (CID 115749259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).