(5R)-5-[3-(6-chloro-2-methylbenzimidazol-1-yl)-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine

C19H19ClFN5O2S — CID 137460017

IUPAC(5R)-5-[3-(6-chloro-2-methylbenzimidazol-1-yl)-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
SMILESCc1nc2ccc(Cl)cc2n1-c1cccc([C@]2(C)CS(=O)(=O)N(C)C(N)=N2)c1F
InChIInChI=1S/C19H19ClFN5O2S/c1-11-23-14-8-7-12(20)9-16(14)26(11)15-6-4-5-13(17(15)21)19(2)10-29(27,28)25(3)18(22)24-19/h4-9H,10H2,1-3H3,(H2,22,24)/t19-/m0/s1
InChIKeyPUDOKLWQVXVXTJ-IBGZPJMESA-N
MW435.91 g/mol
LogP2.93
Rot. Bonds2

About (5R)-5-[3-(6-chloro-2-methylbenzimidazol-1-yl)-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine

(5R)-5-[3-(6-chloro-2-methylbenzimidazol-1-yl)-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine (PubChem CID 137460017) has the molecular formula C19H19ClFN5O2S and a molecular weight of 435.91 g/mol. Its IUPAC name is (5R)-5-[3-(6-chloro-2-methylbenzimidazol-1-yl)-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine.

Molecular Properties

Compound Name(5R)-5-[3-(6-chloro-2-methylbenzimidazol-1-yl)-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
PubChem CID137460017
Molecular FormulaC19H19ClFN5O2S
Molecular Weight435.91 g/mol
Exact Mass435.09
IUPAC Name(5R)-5-[3-(6-chloro-2-methylbenzimidazol-1-yl)-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
SMILESCc1nc2ccc(Cl)cc2n1-c1cccc([C@]2(C)CS(=O)(=O)N(C)C(N)=N2)c1F
InChIInChI=1S/C19H19ClFN5O2S/c1-11-23-14-8-7-12(20)9-16(14)26(11)15-6-4-5-13(17(15)21)19(2)10-29(27,28)25(3)18(22)24-19/h4-9H,10H2,1-3H3,(H2,22,24)/t19-/m0/s1
InChIKeyPUDOKLWQVXVXTJ-IBGZPJMESA-N
XLogP2.93
TPSA93.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.91
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5R)-5-[3-(6-chloro-2-methylbenzimidazol-1-yl)-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[3-(6-chloro-2-methylbenzimidazol-1-yl)-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The IUPAC name of (5R)-5-[3-(6-chloro-2-methylbenzimidazol-1-yl)-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine (CID 137460017) is (5R)-5-[3-(6-chloro-2-methylbenzimidazol-1-yl)-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine.
What is the SMILES notation for (5R)-5-[3-(6-chloro-2-methylbenzimidazol-1-yl)-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The canonical SMILES for (5R)-5-[3-(6-chloro-2-methylbenzimidazol-1-yl)-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine is Cc1nc2ccc(Cl)cc2n1-c1cccc([C@]2(C)CS(=O)(=O)N(C)C(N)=N2)c1F.
What is the InChIKey of (5R)-5-[3-(6-chloro-2-methylbenzimidazol-1-yl)-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The InChIKey is PUDOKLWQVXVXTJ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H19ClFN5O2S/c1-11-23-14-8-7-12(20)9-16(14)26(11)15-6-4-5-13(17(15)21)19(2)10-29(27,28)25(3)18(22)24-19/h4-9H,10H2,1-3H3,(H2,22,24)/t19-/m0/s1.
What are the key properties of (5R)-5-[3-(6-chloro-2-methylbenzimidazol-1-yl)-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
(5R)-5-[3-(6-chloro-2-methylbenzimidazol-1-yl)-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine has a molecular weight of 435.91 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[3-(6-chloro-2-methylbenzimidazol-1-yl)-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine is sourced from PubChem (CID 137460017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).