2-(ethylamino)-4-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-thiazole-5-carboxamide

C15H24N4O2S — CID 118794593

IUPAC2-(ethylamino)-4-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(C)c(C(=O)N[C@H]2COC[C@@H]2N2CCCC2)s1
InChIInChI=1S/C15H24N4O2S/c1-3-16-15-17-10(2)13(22-15)14(20)18-11-8-21-9-12(11)19-6-4-5-7-19/h11-12H,3-9H2,1-2H3,(H,16,17)(H,18,20)/t11-,12-/m0/s1
InChIKeyOUZCMECOMZDDQK-RYUDHWBXSA-N
MW324.45 g/mol
LogP1.48
Rot. Bonds5

About 2-(ethylamino)-4-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-thiazole-5-carboxamide

2-(ethylamino)-4-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-thiazole-5-carboxamide (PubChem CID 118794593) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-(ethylamino)-4-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-4-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-thiazole-5-carboxamide
PubChem CID118794593
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name2-(ethylamino)-4-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(C)c(C(=O)N[C@H]2COC[C@@H]2N2CCCC2)s1
InChIInChI=1S/C15H24N4O2S/c1-3-16-15-17-10(2)13(22-15)14(20)18-11-8-21-9-12(11)19-6-4-5-7-19/h11-12H,3-9H2,1-2H3,(H,16,17)(H,18,20)/t11-,12-/m0/s1
InChIKeyOUZCMECOMZDDQK-RYUDHWBXSA-N
XLogP1.48
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(ethylamino)-4-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

2,4-dimethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-oxazole-5-carboxamide
CID 122565102
5-acetyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]thiophene-2-carboxamide
CID 91789169
2-[(3R,4S)-3-cyclopropyl-4-[[2-(ethylamino)-4-methyl-1,3-thiazole-5-carbonyl]amino]pyrrolidin-1-yl]acetic acid
CID 133118325
5-acetyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]thiophene-2-carboxamide
CID 118790643
5-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1,2-oxazole-3-carboxamide
CID 122556576
2-amino-6-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrimidine-4-carboxamide
CID 118778494
5-propyl-N-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]-1H-pyrazole-3-carboxamide
CID 133114357
5-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1,3-oxazole-4-carboxamide
CID 122559298
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide
CID 122556067
N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-4-propylpyrimidine-5-carboxamide
CID 118786538
2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793752
formic acid;1-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]imidazole-2-carboxamide
CID 154911071

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(ethylamino)-4-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-thiazole-5-carboxamide (CID 118794593) is 2-(ethylamino)-4-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-4-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-4-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-thiazole-5-carboxamide is CCNc1nc(C)c(C(=O)N[C@H]2COC[C@@H]2N2CCCC2)s1.
What is the InChIKey of 2-(ethylamino)-4-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is OUZCMECOMZDDQK-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-3-16-15-17-10(2)13(22-15)14(20)18-11-8-21-9-12(11)19-6-4-5-7-19/h11-12H,3-9H2,1-2H3,(H,16,17)(H,18,20)/t11-,12-/m0/s1.
What are the key properties of 2-(ethylamino)-4-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-thiazole-5-carboxamide?
2-(ethylamino)-4-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118794593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).