[(1S,3R)-3-[3-[[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate

C20H26N6O3S — CID 154616734

IUPAC[(1S,3R)-3-[3-[[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
SMILESCCCNC(=O)O[C@H]1CC[C@@H](c2cc(NC(=O)Cc3cn4c(C)csc4n3)n[nH]2)C1
InChIInChI=1S/C20H26N6O3S/c1-3-6-21-20(28)29-15-5-4-13(7-15)16-9-17(25-24-16)23-18(27)8-14-10-26-12(2)11-30-19(26)22-14/h9-11,13,15H,3-8H2,1-2H3,(H,21,28)(H2,23,24,25,27)/t13-,15+/m1/s1
InChIKeyGNMLLRJTVURIFM-HIFRSBDPSA-N
MW430.53 g/mol
LogP3.38
Rot. Bonds7

About [(1S,3R)-3-[3-[[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate

[(1S,3R)-3-[3-[[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate (PubChem CID 154616734) has the molecular formula C20H26N6O3S and a molecular weight of 430.53 g/mol. Its IUPAC name is [(1S,3R)-3-[3-[[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate.

Molecular Properties

Compound Name[(1S,3R)-3-[3-[[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
PubChem CID154616734
Molecular FormulaC20H26N6O3S
Molecular Weight430.53 g/mol
Exact Mass430.18
IUPAC Name[(1S,3R)-3-[3-[[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
SMILESCCCNC(=O)O[C@H]1CC[C@@H](c2cc(NC(=O)Cc3cn4c(C)csc4n3)n[nH]2)C1
InChIInChI=1S/C20H26N6O3S/c1-3-6-21-20(28)29-15-5-4-13(7-15)16-9-17(25-24-16)23-18(27)8-14-10-26-12(2)11-30-19(26)22-14/h9-11,13,15H,3-8H2,1-2H3,(H,21,28)(H2,23,24,25,27)/t13-,15+/m1/s1
InChIKeyGNMLLRJTVURIFM-HIFRSBDPSA-N
XLogP3.38
TPSA113.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[(1S,3R)-3-[3-[[2-(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
CID 154616595
[3-[3-[[2-(1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
CID 155025436
[3-[3-[[2-(1,3-benzothiazol-7-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
CID 155025480
[3-[3-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
CID 155025557
[(1S,3R)-3-[3-[(2-methylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
CID 154616406
[(1R,3S)-3-[3-[[2-(2-sulfamoylphenyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
CID 154616396
[3-[3-[(2-methylpyridine-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
CID 155025402
[(1R,3S)-3-[3-[[2-(4-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate
CID 154616767
[3-[3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate
CID 155025358
[(1R,3S)-3-[3-[[2-(5-methylpyrazin-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 154616562
[(1R,3S)-3-[3-[[2-(6-methyl-2-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 154616882
[(1R,3S)-3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2-methylbutyl)carbamate
CID 155025552

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-[3-[[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate?
The IUPAC name of [(1S,3R)-3-[3-[[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate (CID 154616734) is [(1S,3R)-3-[3-[[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate.
What is the SMILES notation for [(1S,3R)-3-[3-[[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate?
The canonical SMILES for [(1S,3R)-3-[3-[[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate is CCCNC(=O)O[C@H]1CC[C@@H](c2cc(NC(=O)Cc3cn4c(C)csc4n3)n[nH]2)C1.
What is the InChIKey of [(1S,3R)-3-[3-[[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate?
The InChIKey is GNMLLRJTVURIFM-HIFRSBDPSA-N. The full InChI is InChI=1S/C20H26N6O3S/c1-3-6-21-20(28)29-15-5-4-13(7-15)16-9-17(25-24-16)23-18(27)8-14-10-26-12(2)11-30-19(26)22-14/h9-11,13,15H,3-8H2,1-2H3,(H,21,28)(H2,23,24,25,27)/t13-,15+/m1/s1.
What are the key properties of [(1S,3R)-3-[3-[[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate?
[(1S,3R)-3-[3-[[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate has a molecular weight of 430.53 g/mol, XLogP of 3.38, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-[3-[[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate is sourced from PubChem (CID 154616734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).