(3R)-3-[5-(5-methyl-1,3-oxazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-1-yl]thiolane 1,1-dioxide

C14H15N5O3S2 — CID 97435719

IUPAC(3R)-3-[5-(5-methyl-1,3-oxazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-1-yl]thiolane 1,1-dioxide
SMILESCc1nc(-c2nc(-c3ncoc3C)n([C@@H]3CCS(=O)(=O)C3)n2)cs1
InChIInChI=1S/C14H15N5O3S2/c1-8-12(15-7-22-8)14-17-13(11-5-23-9(2)16-11)18-19(14)10-3-4-24(20,21)6-10/h5,7,10H,3-4,6H2,1-2H3/t10-/m1/s1
InChIKeyUZSLYELDIHEVST-SNVBAGLBSA-N
MW365.44 g/mol
LogP2.03
Rot. Bonds3

About (3R)-3-[5-(5-methyl-1,3-oxazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-1-yl]thiolane 1,1-dioxide

(3R)-3-[5-(5-methyl-1,3-oxazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-1-yl]thiolane 1,1-dioxide (PubChem CID 97435719) has the molecular formula C14H15N5O3S2 and a molecular weight of 365.44 g/mol. Its IUPAC name is (3R)-3-[5-(5-methyl-1,3-oxazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-1-yl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name(3R)-3-[5-(5-methyl-1,3-oxazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-1-yl]thiolane 1,1-dioxide
PubChem CID97435719
Molecular FormulaC14H15N5O3S2
Molecular Weight365.44 g/mol
Exact Mass365.06
IUPAC Name(3R)-3-[5-(5-methyl-1,3-oxazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-1-yl]thiolane 1,1-dioxide
SMILESCc1nc(-c2nc(-c3ncoc3C)n([C@@H]3CCS(=O)(=O)C3)n2)cs1
InChIInChI=1S/C14H15N5O3S2/c1-8-12(15-7-22-8)14-17-13(11-5-23-9(2)16-11)18-19(14)10-3-4-24(20,21)6-10/h5,7,10H,3-4,6H2,1-2H3/t10-/m1/s1
InChIKeyUZSLYELDIHEVST-SNVBAGLBSA-N
XLogP2.03
TPSA103.77 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

(3R)-3-[5-(5-methyl-1,3-oxazol-4-yl)-3-(phenoxymethyl)-1,2,4-triazol-1-yl]thiolane 1,1-dioxide
CID 97455429
4-[2-(1,1-dioxothiolan-3-yl)-5-phenyl-1,2,4-triazol-3-yl]-N-methyl-1,3-thiazol-2-amine
CID 72873243
3-[2-(1,1-dioxothiolan-3-yl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]-N,N-dimethylpyridin-2-amine
CID 146042386
(3S)-3-[5-(1-methylpyrazol-4-yl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]thiolane 1,1-dioxide
CID 97444451
(3R)-3-[3,5-dimethyl-4-[(E)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethenyl]pyrazol-1-yl]thiolane 1,1-dioxide
CID 9211101
3-[5-chloro-3-methyl-4-[(E)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethenyl]pyrazol-1-yl]thiolane 1,1-dioxide
CID 6224054
1-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-amine
CID 94547847
3-[5-[(3,5-dimethylphenyl)methyl]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]thiolane 1,1-dioxide
CID 166399485
(3S)-3-[3-(ethoxymethyl)-5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-triazol-1-yl]thiolane 1,1-dioxide
CID 97188558
(3R)-3-[3-methyl-5-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,2,4-triazol-1-yl]thiolane 1,1-dioxide
CID 97436091
(3S)-3-(4-iodo-3,5-dimethylpyrazol-1-yl)thiolane 1,1-dioxide
CID 97161027
3-(3-bromothiophen-2-yl)-1-(1,1-dioxothiolan-3-yl)-4-methylpyrazol-5-amine
CID 63797071

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[5-(5-methyl-1,3-oxazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-1-yl]thiolane 1,1-dioxide?
The IUPAC name of (3R)-3-[5-(5-methyl-1,3-oxazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-1-yl]thiolane 1,1-dioxide (CID 97435719) is (3R)-3-[5-(5-methyl-1,3-oxazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-1-yl]thiolane 1,1-dioxide.
What is the SMILES notation for (3R)-3-[5-(5-methyl-1,3-oxazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-1-yl]thiolane 1,1-dioxide?
The canonical SMILES for (3R)-3-[5-(5-methyl-1,3-oxazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-1-yl]thiolane 1,1-dioxide is Cc1nc(-c2nc(-c3ncoc3C)n([C@@H]3CCS(=O)(=O)C3)n2)cs1.
What is the InChIKey of (3R)-3-[5-(5-methyl-1,3-oxazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-1-yl]thiolane 1,1-dioxide?
The InChIKey is UZSLYELDIHEVST-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15N5O3S2/c1-8-12(15-7-22-8)14-17-13(11-5-23-9(2)16-11)18-19(14)10-3-4-24(20,21)6-10/h5,7,10H,3-4,6H2,1-2H3/t10-/m1/s1.
What are the key properties of (3R)-3-[5-(5-methyl-1,3-oxazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-1-yl]thiolane 1,1-dioxide?
(3R)-3-[5-(5-methyl-1,3-oxazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-1-yl]thiolane 1,1-dioxide has a molecular weight of 365.44 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[5-(5-methyl-1,3-oxazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-1-yl]thiolane 1,1-dioxide is sourced from PubChem (CID 97435719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).