2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-(tetrazol-1-yl)aniline

C12H11FN6S — CID 60938011

IUPAC2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-(tetrazol-1-yl)aniline
SMILESCc1ncc(CNc2cc(-n3cnnn3)ccc2F)s1
InChIInChI=1S/C12H11FN6S/c1-8-14-5-10(20-8)6-15-12-4-9(2-3-11(12)13)19-7-16-17-18-19/h2-5,7,15H,6H2,1H3
InChIKeyCZAYXUQSNLEAFL-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.18
Rot. Bonds4

About 2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-(tetrazol-1-yl)aniline

2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-(tetrazol-1-yl)aniline (PubChem CID 60938011) has the molecular formula C12H11FN6S and a molecular weight of 290.33 g/mol. Its IUPAC name is 2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-(tetrazol-1-yl)aniline.

Molecular Properties

Compound Name2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-(tetrazol-1-yl)aniline
PubChem CID60938011
Molecular FormulaC12H11FN6S
Molecular Weight290.33 g/mol
Exact Mass290.07
IUPAC Name2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-(tetrazol-1-yl)aniline
SMILESCc1ncc(CNc2cc(-n3cnnn3)ccc2F)s1
InChIInChI=1S/C12H11FN6S/c1-8-14-5-10(20-8)6-15-12-4-9(2-3-11(12)13)19-7-16-17-18-19/h2-5,7,15H,6H2,1H3
InChIKeyCZAYXUQSNLEAFL-UHFFFAOYSA-N
XLogP2.18
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-(tetrazol-1-yl)aniline?
The IUPAC name of 2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-(tetrazol-1-yl)aniline (CID 60938011) is 2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-(tetrazol-1-yl)aniline.
What is the SMILES notation for 2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-(tetrazol-1-yl)aniline?
The canonical SMILES for 2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-(tetrazol-1-yl)aniline is Cc1ncc(CNc2cc(-n3cnnn3)ccc2F)s1.
What is the InChIKey of 2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-(tetrazol-1-yl)aniline?
The InChIKey is CZAYXUQSNLEAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN6S/c1-8-14-5-10(20-8)6-15-12-4-9(2-3-11(12)13)19-7-16-17-18-19/h2-5,7,15H,6H2,1H3.
What are the key properties of 2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-(tetrazol-1-yl)aniline?
2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-(tetrazol-1-yl)aniline has a molecular weight of 290.33 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-(tetrazol-1-yl)aniline is sourced from PubChem (CID 60938011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).