N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-methyl-1,3-thiazole-4-carboxamide

C12H15N3O2S — CID 95985133

IUPACN-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)cs1
InChIInChI=1S/C12H15N3O2S/c1-7-13-10(6-18-7)12(17)14-8-4-11(16)15(5-8)9-2-3-9/h6,8-9H,2-5H2,1H3,(H,14,17)/t8-/m0/s1
InChIKeySUZWBNSOWZQNFW-QMMMGPOBSA-N
MW265.34 g/mol
LogP0.94
Rot. Bonds3

About N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-methyl-1,3-thiazole-4-carboxamide

N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 95985133) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID95985133
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)cs1
InChIInChI=1S/C12H15N3O2S/c1-7-13-10(6-18-7)12(17)14-8-4-11(16)15(5-8)9-2-3-9/h6,8-9H,2-5H2,1H3,(H,14,17)/t8-/m0/s1
InChIKeySUZWBNSOWZQNFW-QMMMGPOBSA-N
XLogP0.94
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-methyl-1,3-thiazole-4-carboxamide (CID 95985133) is N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)cs1.
What is the InChIKey of N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is SUZWBNSOWZQNFW-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-7-13-10(6-18-7)12(17)14-8-4-11(16)15(5-8)9-2-3-9/h6,8-9H,2-5H2,1H3,(H,14,17)/t8-/m0/s1.
What are the key properties of N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-methyl-1,3-thiazole-4-carboxamide?
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 265.34 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 95985133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).