6-chloro-4-methyl-8-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzothiazine

C10H10ClN5S — CID 177336537

IUPAC6-chloro-4-methyl-8-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzothiazine
SMILESCN1CCSc2c(-c3nn[nH]n3)cc(Cl)cc21
InChIInChI=1S/C10H10ClN5S/c1-16-2-3-17-9-7(10-12-14-15-13-10)4-6(11)5-8(9)16/h4-5H,2-3H2,1H3,(H,12,13,14,15)
InChIKeyMZDNCQVELQEIHW-UHFFFAOYSA-N
MW267.75 g/mol
LogP2.06
Rot. Bonds1

About 6-chloro-4-methyl-8-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzothiazine

6-chloro-4-methyl-8-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzothiazine (PubChem CID 177336537) has the molecular formula C10H10ClN5S and a molecular weight of 267.75 g/mol. Its IUPAC name is 6-chloro-4-methyl-8-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzothiazine.

Molecular Properties

Compound Name6-chloro-4-methyl-8-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzothiazine
PubChem CID177336537
Molecular FormulaC10H10ClN5S
Molecular Weight267.75 g/mol
Exact Mass267.03
IUPAC Name6-chloro-4-methyl-8-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzothiazine
SMILESCN1CCSc2c(-c3nn[nH]n3)cc(Cl)cc21
InChIInChI=1S/C10H10ClN5S/c1-16-2-3-17-9-7(10-12-14-15-13-10)4-6(11)5-8(9)16/h4-5H,2-3H2,1H3,(H,12,13,14,15)
InChIKeyMZDNCQVELQEIHW-UHFFFAOYSA-N
XLogP2.06
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.75
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methyl-8-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzothiazine?
The IUPAC name of 6-chloro-4-methyl-8-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzothiazine (CID 177336537) is 6-chloro-4-methyl-8-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzothiazine.
What is the SMILES notation for 6-chloro-4-methyl-8-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzothiazine?
The canonical SMILES for 6-chloro-4-methyl-8-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzothiazine is CN1CCSc2c(-c3nn[nH]n3)cc(Cl)cc21.
What is the InChIKey of 6-chloro-4-methyl-8-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzothiazine?
The InChIKey is MZDNCQVELQEIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5S/c1-16-2-3-17-9-7(10-12-14-15-13-10)4-6(11)5-8(9)16/h4-5H,2-3H2,1H3,(H,12,13,14,15).
What are the key properties of 6-chloro-4-methyl-8-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzothiazine?
6-chloro-4-methyl-8-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzothiazine has a molecular weight of 267.75 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methyl-8-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzothiazine is sourced from PubChem (CID 177336537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).