(6R,7R)-6-(4-chlorophenyl)-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide

C17H20ClN5O2S — CID 26363899

IUPAC(6R,7R)-6-(4-chlorophenyl)-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
SMILESCc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@H](C(=O)NC[C@H]1CCCO1)S2
InChIInChI=1S/C17H20ClN5O2S/c1-10-20-21-17-23(10)22-14(11-4-6-12(18)7-5-11)15(26-17)16(24)19-9-13-3-2-8-25-13/h4-7,13-15,22H,2-3,8-9H2,1H3,(H,19,24)/t13-,14-,15-/m1/s1
InChIKeyOPRSYOOVOFPYHV-RBSFLKMASA-N
MW393.90 g/mol
LogP2.29
Rot. Bonds4

About (6R,7R)-6-(4-chlorophenyl)-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide

(6R,7R)-6-(4-chlorophenyl)-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide (PubChem CID 26363899) has the molecular formula C17H20ClN5O2S and a molecular weight of 393.90 g/mol. Its IUPAC name is (6R,7R)-6-(4-chlorophenyl)-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound Name(6R,7R)-6-(4-chlorophenyl)-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
PubChem CID26363899
Molecular FormulaC17H20ClN5O2S
Molecular Weight393.90 g/mol
Exact Mass393.10
IUPAC Name(6R,7R)-6-(4-chlorophenyl)-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
SMILESCc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@H](C(=O)NC[C@H]1CCCO1)S2
InChIInChI=1S/C17H20ClN5O2S/c1-10-20-21-17-23(10)22-14(11-4-6-12(18)7-5-11)15(26-17)16(24)19-9-13-3-2-8-25-13/h4-7,13-15,22H,2-3,8-9H2,1H3,(H,19,24)/t13-,14-,15-/m1/s1
InChIKeyOPRSYOOVOFPYHV-RBSFLKMASA-N
XLogP2.29
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (6R,7R)-6-(4-chlorophenyl)-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide with MolForge

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Related Compounds

(6S,7R)-6-(4-ethoxyphenyl)-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
CID 124763342
6-(4-chlorophenyl)-N-cyclohexyl-N,3-dimethyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
CID 3000056
N-(4-chlorophenyl)-6-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
CID 17186204
(6S,7R)-6-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
CID 40980856
(6S,7R)-N-(2-chlorophenyl)-3-methyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
CID 40979030
[(6S,7R)-3-methyl-6-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]-morpholin-4-ylmethanone
CID 40980945
ethyl 2-[[(6R,7S)-6-(4-chlorophenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carbonyl]amino]-5-phenylthiophene-3-carboxylate
CID 2428478
(6S,7S)-N-(4-bromophenyl)-3-methyl-6-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
CID 40979681
5-(4-chlorophenyl)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide
CID 42107591
(6S,7S)-N-(4-bromophenyl)-6-(4-ethoxyphenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
CID 40981114
(6R,7R)-N-(4-methoxyphenyl)-3-methyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
CID 40979002
1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-yltriazole-4-carboxamide
CID 16652139

Frequently Asked Questions

What is the IUPAC name of (6R,7R)-6-(4-chlorophenyl)-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide?
The IUPAC name of (6R,7R)-6-(4-chlorophenyl)-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide (CID 26363899) is (6R,7R)-6-(4-chlorophenyl)-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide.
What is the SMILES notation for (6R,7R)-6-(4-chlorophenyl)-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide?
The canonical SMILES for (6R,7R)-6-(4-chlorophenyl)-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide is Cc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@H](C(=O)NC[C@H]1CCCO1)S2.
What is the InChIKey of (6R,7R)-6-(4-chlorophenyl)-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide?
The InChIKey is OPRSYOOVOFPYHV-RBSFLKMASA-N. The full InChI is InChI=1S/C17H20ClN5O2S/c1-10-20-21-17-23(10)22-14(11-4-6-12(18)7-5-11)15(26-17)16(24)19-9-13-3-2-8-25-13/h4-7,13-15,22H,2-3,8-9H2,1H3,(H,19,24)/t13-,14-,15-/m1/s1.
What are the key properties of (6R,7R)-6-(4-chlorophenyl)-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide?
(6R,7R)-6-(4-chlorophenyl)-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide has a molecular weight of 393.90 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R)-6-(4-chlorophenyl)-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 26363899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).