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

C12H12N6S — CID 28781201

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline
SMILESCc1nc(CNc2ccc(-n3cnnn3)cc2)cs1
InChIInChI=1S/C12H12N6S/c1-9-15-11(7-19-9)6-13-10-2-4-12(5-3-10)18-8-14-16-17-18/h2-5,7-8,13H,6H2,1H3
InChIKeyLRFPRYXTGFQGNV-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.04
Rot. Bonds4

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

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline (PubChem CID 28781201) has the molecular formula C12H12N6S and a molecular weight of 272.34 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline
PubChem CID28781201
Molecular FormulaC12H12N6S
Molecular Weight272.34 g/mol
Exact Mass272.08
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline
SMILESCc1nc(CNc2ccc(-n3cnnn3)cc2)cs1
InChIInChI=1S/C12H12N6S/c1-9-15-11(7-19-9)6-13-10-2-4-12(5-3-10)18-8-14-16-17-18/h2-5,7-8,13H,6H2,1H3
InChIKeyLRFPRYXTGFQGNV-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
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 61281098
N-(2-methylpropyl)-4-(tetrazol-1-yl)aniline
CID 28621711
4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzoic acid
CID 43139161
N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 55114541
4-[[4-(tetrazol-1-yl)anilino]methyl]phenol
CID 28621639
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 47025716
N-[(5-ethylfuran-2-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 62346303
4-butyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 30049651
1-ethyl-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridin-2-one
CID 54863936
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N'-[4-(tetrazol-1-yl)benzoyl]piperidine-4-carbohydrazide
CID 56553767
N,N-dimethyl-4-[[1-[4-(tetrazol-1-yl)phenyl]ethylamino]methyl]-1,3-thiazol-2-amine
CID 75428486

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline (CID 28781201) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline is Cc1nc(CNc2ccc(-n3cnnn3)cc2)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline?
The InChIKey is LRFPRYXTGFQGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6S/c1-9-15-11(7-19-9)6-13-10-2-4-12(5-3-10)18-8-14-16-17-18/h2-5,7-8,13H,6H2,1H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(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-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline is sourced from PubChem (CID 28781201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).