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

C11H10N6S — CID 62759060

IUPAC2-(tetrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)aniline
SMILESc1ccc(-n2cnnn2)c(NCc2cncs2)c1
InChIInChI=1S/C11H10N6S/c1-2-4-11(17-7-14-15-16-17)10(3-1)13-6-9-5-12-8-18-9/h1-5,7-8,13H,6H2
InChIKeyHSDKYOOVLBNYHS-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.73
Rot. Bonds4

About 2-(tetrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)aniline

2-(tetrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)aniline (PubChem CID 62759060) has the molecular formula C11H10N6S and a molecular weight of 258.31 g/mol. Its IUPAC name is 2-(tetrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)aniline.

Molecular Properties

Compound Name2-(tetrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)aniline
PubChem CID62759060
Molecular FormulaC11H10N6S
Molecular Weight258.31 g/mol
Exact Mass258.07
IUPAC Name2-(tetrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)aniline
SMILESc1ccc(-n2cnnn2)c(NCc2cncs2)c1
InChIInChI=1S/C11H10N6S/c1-2-4-11(17-7-14-15-16-17)10(3-1)13-6-9-5-12-8-18-9/h1-5,7-8,13H,6H2
InChIKeyHSDKYOOVLBNYHS-UHFFFAOYSA-N
XLogP1.73
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-3-(tetrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62758879
5-[[2-(tetrazol-1-yl)anilino]methyl]thiophene-3-carboxamide
CID 79611373
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(tetrazol-1-yl)aniline
CID 115749259
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline
CID 43702314
N-[(4,5-dibromofuran-2-yl)methyl]-2-(tetrazol-1-yl)aniline
CID 62085552
N-[(1-methyltriazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline
CID 62755418
N-(cyclopenten-1-ylmethyl)-2-(tetrazol-1-yl)aniline
CID 146144127
N-(3-methylbutyl)-2-(tetrazol-1-yl)aniline
CID 43702180
N-[(1-propylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline
CID 103825560
N-[(4-fluoro-2-methylphenyl)methyl]-2-(tetrazol-1-yl)aniline
CID 62135429
N-(3-methylsulfanylpropyl)-2-(tetrazol-1-yl)aniline
CID 43702070
[2-(tetrazol-1-yl)phenyl]thiourea
CID 169356429

Frequently Asked Questions

What is the IUPAC name of 2-(tetrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)aniline?
The IUPAC name of 2-(tetrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)aniline (CID 62759060) is 2-(tetrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)aniline.
What is the SMILES notation for 2-(tetrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)aniline?
The canonical SMILES for 2-(tetrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)aniline is c1ccc(-n2cnnn2)c(NCc2cncs2)c1.
What is the InChIKey of 2-(tetrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)aniline?
The InChIKey is HSDKYOOVLBNYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6S/c1-2-4-11(17-7-14-15-16-17)10(3-1)13-6-9-5-12-8-18-9/h1-5,7-8,13H,6H2.
What are the key properties of 2-(tetrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)aniline?
2-(tetrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)aniline has a molecular weight of 258.31 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tetrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)aniline is sourced from PubChem (CID 62759060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).