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

C12H12N6S — CID 55248719

IUPAC3-(1-methyltetrazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)aniline
SMILESCn1nnnc1-c1cccc(NCc2nccs2)c1
InChIInChI=1S/C12H12N6S/c1-18-12(15-16-17-18)9-3-2-4-10(7-9)14-8-11-13-5-6-19-11/h2-7,14H,8H2,1H3
InChIKeyAIXWBGGOUGHKSA-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.95
Rot. Bonds4

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

3-(1-methyltetrazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)aniline (PubChem CID 55248719) has the molecular formula C12H12N6S and a molecular weight of 272.34 g/mol. Its IUPAC name is 3-(1-methyltetrazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)aniline.

Molecular Properties

Compound Name3-(1-methyltetrazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)aniline
PubChem CID55248719
Molecular FormulaC12H12N6S
Molecular Weight272.34 g/mol
Exact Mass272.08
IUPAC Name3-(1-methyltetrazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)aniline
SMILESCn1nnnc1-c1cccc(NCc2nccs2)c1
InChIInChI=1S/C12H12N6S/c1-18-12(15-16-17-18)9-3-2-4-10(7-9)14-8-11-13-5-6-19-11/h2-7,14H,8H2,1H3
InChIKeyAIXWBGGOUGHKSA-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-methyl-1,2,4-triazol-3-yl)-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63657022
N-[(1-methylimidazol-2-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline
CID 62357094
N-[(4-methylphenyl)methyl]-3-(1-methyltetrazol-5-yl)aniline
CID 43687122
N-[(4,5-dibromothiophen-2-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline
CID 102832323
N'-tert-butyl-N-[3-(1-methyltetrazol-5-yl)phenyl]ethane-1,2-diamine
CID 107444969
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline
CID 43687182
N-(cyclopropylmethyl)-3-(1-methyltetrazol-5-yl)aniline
CID 43687184
1-methyl-N-(1,3-thiazol-2-ylmethyl)tetrazol-5-amine
CID 63150079
N-(2-methylpentyl)-3-(1-methyltetrazol-5-yl)aniline
CID 43687104
N-(3-methoxy-2-methylpropyl)-3-(1-methyltetrazol-5-yl)aniline
CID 116500940
3-amino-3-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]butanamide
CID 64684421
1-methyl-5-(3-methylphenyl)tetrazole
CID 23384026

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyltetrazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)aniline?
The IUPAC name of 3-(1-methyltetrazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)aniline (CID 55248719) is 3-(1-methyltetrazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)aniline.
What is the SMILES notation for 3-(1-methyltetrazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)aniline?
The canonical SMILES for 3-(1-methyltetrazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)aniline is Cn1nnnc1-c1cccc(NCc2nccs2)c1.
What is the InChIKey of 3-(1-methyltetrazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)aniline?
The InChIKey is AIXWBGGOUGHKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6S/c1-18-12(15-16-17-18)9-3-2-4-10(7-9)14-8-11-13-5-6-19-11/h2-7,14H,8H2,1H3.
What are the key properties of 3-(1-methyltetrazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)aniline?
3-(1-methyltetrazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)aniline has a molecular weight of 272.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyltetrazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)aniline is sourced from PubChem (CID 55248719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).