(2S)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide

C12H15N5O2S2 — CID 164643021

IUPAC(2S)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
SMILESCOc1nnc(NC(=O)N2CCC[C@H]2c2nc(C)cs2)s1
InChIInChI=1S/C12H15N5O2S2/c1-7-6-20-9(13-7)8-4-3-5-17(8)11(18)14-10-15-16-12(19-2)21-10/h6,8H,3-5H2,1-2H3,(H,14,15,18)/t8-/m0/s1
InChIKeyIJSHFZSJGZUDQB-QMMMGPOBSA-N
MW325.42 g/mol
LogP2.68
Rot. Bonds3

About (2S)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide

(2S)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 164643021) has the molecular formula C12H15N5O2S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is (2S)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
PubChem CID164643021
Molecular FormulaC12H15N5O2S2
Molecular Weight325.42 g/mol
Exact Mass325.07
IUPAC Name(2S)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
SMILESCOc1nnc(NC(=O)N2CCC[C@H]2c2nc(C)cs2)s1
InChIInChI=1S/C12H15N5O2S2/c1-7-6-20-9(13-7)8-4-3-5-17(8)11(18)14-10-15-16-12(19-2)21-10/h6,8H,3-5H2,1-2H3,(H,14,15,18)/t8-/m0/s1
InChIKeyIJSHFZSJGZUDQB-QMMMGPOBSA-N
XLogP2.68
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide (CID 164643021) is (2S)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide is COc1nnc(NC(=O)N2CCC[C@H]2c2nc(C)cs2)s1.
What is the InChIKey of (2S)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is IJSHFZSJGZUDQB-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15N5O2S2/c1-7-6-20-9(13-7)8-4-3-5-17(8)11(18)14-10-15-16-12(19-2)21-10/h6,8H,3-5H2,1-2H3,(H,14,15,18)/t8-/m0/s1.
What are the key properties of (2S)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
(2S)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 164643021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).