[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone

C12H18N4O2S — CID 165434746

IUPAC[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1nnc(N2CCC(C(=O)N3CCOCC3)C2)s1
InChIInChI=1S/C12H18N4O2S/c1-9-13-14-12(19-9)16-3-2-10(8-16)11(17)15-4-6-18-7-5-15/h10H,2-8H2,1H3
InChIKeyGYQVMGTZDOVVMT-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.53
Rot. Bonds2

About [1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone

[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 165434746) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is [1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
PubChem CID165434746
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1nnc(N2CCC(C(=O)N3CCOCC3)C2)s1
InChIInChI=1S/C12H18N4O2S/c1-9-13-14-12(19-9)16-3-2-10(8-16)11(17)15-4-6-18-7-5-15/h10H,2-8H2,1H3
InChIKeyGYQVMGTZDOVVMT-UHFFFAOYSA-N
XLogP0.53
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid
CID 65209414
methyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate
CID 64914175
[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 165435103
[1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 165435628
4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine
CID 58663759
(3R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 97009426
[1-(5,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 165434655
[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 72925067
[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 90611663
[1-(6-cyclopropylpyridazin-3-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 165434865
ethyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxylate
CID 65208891
[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 155976420

Frequently Asked Questions

What is the IUPAC name of [1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone (CID 165434746) is [1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone is Cc1nnc(N2CCC(C(=O)N3CCOCC3)C2)s1.
What is the InChIKey of [1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is GYQVMGTZDOVVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-9-13-14-12(19-9)16-3-2-10(8-16)11(17)15-4-6-18-7-5-15/h10H,2-8H2,1H3.
What are the key properties of [1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 282.37 g/mol, XLogP of 0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 165434746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).