(2R)-N-cyclopentyl-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxamide

C17H22N4O2S — CID 97221750

IUPAC(2R)-N-cyclopentyl-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxamide
SMILESO=C(NC1CCCC1)[C@H]1CCCN1C(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C17H22N4O2S/c22-15(10-13-11-20-8-9-24-17(20)19-13)21-7-3-6-14(21)16(23)18-12-4-1-2-5-12/h8-9,11-12,14H,1-7,10H2,(H,18,23)/t14-/m1/s1
InChIKeyKXTUCLSQHACWBE-CQSZACIVSA-N
MW346.46 g/mol
LogP1.99
Rot. Bonds4

About (2R)-N-cyclopentyl-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxamide

(2R)-N-cyclopentyl-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxamide (PubChem CID 97221750) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is (2R)-N-cyclopentyl-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-cyclopentyl-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxamide
PubChem CID97221750
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name(2R)-N-cyclopentyl-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxamide
SMILESO=C(NC1CCCC1)[C@H]1CCCN1C(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C17H22N4O2S/c22-15(10-13-11-20-8-9-24-17(20)19-13)21-7-3-6-14(21)16(23)18-12-4-1-2-5-12/h8-9,11-12,14H,1-7,10H2,(H,18,23)/t14-/m1/s1
InChIKeyKXTUCLSQHACWBE-CQSZACIVSA-N
XLogP1.99
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxylic acid
CID 61136837
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 129370420
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone
CID 70729152
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone
CID 94616471
1-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 95311567
N-cyclopropyl-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide
CID 47164618
N-(1-cycloheptylpiperidin-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 45244043
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 95607609
1-cyclopentyl-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)urea
CID 110661647
N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 163316234
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2R)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 96572309
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(4R)-4-methylazepan-1-yl]ethanone
CID 95591217

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopentyl-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-cyclopentyl-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxamide (CID 97221750) is (2R)-N-cyclopentyl-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-cyclopentyl-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-cyclopentyl-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxamide is O=C(NC1CCCC1)[C@H]1CCCN1C(=O)Cc1cn2ccsc2n1.
What is the InChIKey of (2R)-N-cyclopentyl-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxamide?
The InChIKey is KXTUCLSQHACWBE-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N4O2S/c22-15(10-13-11-20-8-9-24-17(20)19-13)21-7-3-6-14(21)16(23)18-12-4-1-2-5-12/h8-9,11-12,14H,1-7,10H2,(H,18,23)/t14-/m1/s1.
What are the key properties of (2R)-N-cyclopentyl-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxamide?
(2R)-N-cyclopentyl-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopentyl-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 97221750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).