2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzoxazole

C13H12N4O2S2 — CID 47983559

IUPAC2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzoxazole
SMILESc1ccc2oc(Sc3nnc(N4CCOCC4)s3)nc2c1
InChIInChI=1S/C13H12N4O2S2/c1-2-4-10-9(3-1)14-12(19-10)21-13-16-15-11(20-13)17-5-7-18-8-6-17/h1-4H,5-8H2
InChIKeyGNSMTAKMWGUEQF-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.67
Rot. Bonds3

About 2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzoxazole

2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzoxazole (PubChem CID 47983559) has the molecular formula C13H12N4O2S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzoxazole
PubChem CID47983559
Molecular FormulaC13H12N4O2S2
Molecular Weight320.40 g/mol
Exact Mass320.04
IUPAC Name2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzoxazole
SMILESc1ccc2oc(Sc3nnc(N4CCOCC4)s3)nc2c1
InChIInChI=1S/C13H12N4O2S2/c1-2-4-10-9(3-1)14-12(19-10)21-13-16-15-11(20-13)17-5-7-18-8-6-17/h1-4H,5-8H2
InChIKeyGNSMTAKMWGUEQF-UHFFFAOYSA-N
XLogP2.67
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-(5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine
CID 133291466
4-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine
CID 130636649
5-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine
CID 71940144
2-(1,3-benzoxazol-2-ylsulfanyl)ethyl-dimorpholin-4-yl-sulfanylidene-λ5-phosphane
CID 23766478
4-[5-[(2-methylphenyl)-phenylmethyl]sulfanyl-1,3,4-thiadiazol-2-yl]morpholine
CID 47944469
N-ethyl-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CID 47944871
4-[5-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]morpholine
CID 60588645
4-[5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]morpholine
CID 122142418
[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 24632142
N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1,3-benzoxazol-2-amine
CID 4047872
N-(2-methyl-1-phenylpropyl)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 47945201
[2-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl]-morpholin-4-ylmethanone
CID 36708523

Frequently Asked Questions

What is the IUPAC name of 2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzoxazole?
The IUPAC name of 2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzoxazole (CID 47983559) is 2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzoxazole?
The canonical SMILES for 2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzoxazole is c1ccc2oc(Sc3nnc(N4CCOCC4)s3)nc2c1.
What is the InChIKey of 2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzoxazole?
The InChIKey is GNSMTAKMWGUEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S2/c1-2-4-10-9(3-1)14-12(19-10)21-13-16-15-11(20-13)17-5-7-18-8-6-17/h1-4H,5-8H2.
What are the key properties of 2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzoxazole?
2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzoxazole has a molecular weight of 320.40 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzoxazole is sourced from PubChem (CID 47983559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).