5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

C20H24N4O2S — CID 56863269

IUPAC5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCN(CCc1ccccc1)C(=O)c1nc2sccn2c1CN1CC[C@@H](O)C1
InChIInChI=1S/C20H24N4O2S/c1-22(9-7-15-5-3-2-4-6-15)19(26)18-17(14-23-10-8-16(25)13-23)24-11-12-27-20(24)21-18/h2-6,11-12,16,25H,7-10,13-14H2,1H3/t16-/m1/s1
InChIKeyQZWTWXNHRXZVOI-MRXNPFEDSA-N
MW384.51 g/mol
LogP2.28
Rot. Bonds6

About 5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 56863269) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound Name5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID56863269
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCN(CCc1ccccc1)C(=O)c1nc2sccn2c1CN1CC[C@@H](O)C1
InChIInChI=1S/C20H24N4O2S/c1-22(9-7-15-5-3-2-4-6-15)19(26)18-17(14-23-10-8-16(25)13-23)24-11-12-27-20(24)21-18/h2-6,11-12,16,25H,7-10,13-14H2,1H3/t16-/m1/s1
InChIKeyQZWTWXNHRXZVOI-MRXNPFEDSA-N
XLogP2.28
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of 5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 56863269) is 5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for 5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for 5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is CN(CCc1ccccc1)C(=O)c1nc2sccn2c1CN1CC[C@@H](O)C1.
What is the InChIKey of 5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is QZWTWXNHRXZVOI-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-22(9-7-15-5-3-2-4-6-15)19(26)18-17(14-23-10-8-16(25)13-23)24-11-12-27-20(24)21-18/h2-6,11-12,16,25H,7-10,13-14H2,1H3/t16-/m1/s1.
What are the key properties of 5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 384.51 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 56863269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).