[3-[3-[[2-(1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate

C17H23N5O3S — CID 155025436

IUPAC[3-[3-[[2-(1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
SMILESCCCNC(=O)OC1CCC(c2cc(NC(=O)Cc3cncs3)n[nH]2)C1
InChIInChI=1S/C17H23N5O3S/c1-2-5-19-17(24)25-12-4-3-11(6-12)14-8-15(22-21-14)20-16(23)7-13-9-18-10-26-13/h8-12H,2-7H2,1H3,(H,19,24)(H2,20,21,22,23)
InChIKeyRTIMLGNZVVWKOL-UHFFFAOYSA-N
MW377.47 g/mol
LogP2.82
Rot. Bonds7

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

[3-[3-[[2-(1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate (PubChem CID 155025436) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is [3-[3-[[2-(1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate.

Molecular Properties

Compound Name[3-[3-[[2-(1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
PubChem CID155025436
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC Name[3-[3-[[2-(1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
SMILESCCCNC(=O)OC1CCC(c2cc(NC(=O)Cc3cncs3)n[nH]2)C1
InChIInChI=1S/C17H23N5O3S/c1-2-5-19-17(24)25-12-4-3-11(6-12)14-8-15(22-21-14)20-16(23)7-13-9-18-10-26-13/h8-12H,2-7H2,1H3,(H,19,24)(H2,20,21,22,23)
InChIKeyRTIMLGNZVVWKOL-UHFFFAOYSA-N
XLogP2.82
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[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
[(1R,3S)-3-[3-[[2-(2-sulfamoylphenyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
CID 154616396
[(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
[(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
[(1S,3R)-3-[3-[(2-methylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
CID 154616406
[(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
[(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
[3-[3-[(2-methylpyridine-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
CID 155025402
[(1R,3S)-3-[3-[[2-(5-methyl-1,3,4-thiadiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate
CID 154616740
[(1R,3S)-3-[3-[[2-(5-methoxy-1,3-thiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate
CID 154616660
[(1R,3S)-3-[3-[[2-(1,3-benzothiazol-7-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 154616812

Frequently Asked Questions

What is the IUPAC name of [3-[3-[[2-(1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate?
The IUPAC name of [3-[3-[[2-(1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate (CID 155025436) is [3-[3-[[2-(1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate.
What is the SMILES notation for [3-[3-[[2-(1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate?
The canonical SMILES for [3-[3-[[2-(1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate is CCCNC(=O)OC1CCC(c2cc(NC(=O)Cc3cncs3)n[nH]2)C1.
What is the InChIKey of [3-[3-[[2-(1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate?
The InChIKey is RTIMLGNZVVWKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-2-5-19-17(24)25-12-4-3-11(6-12)14-8-15(22-21-14)20-16(23)7-13-9-18-10-26-13/h8-12H,2-7H2,1H3,(H,19,24)(H2,20,21,22,23).
What are the key properties of [3-[3-[[2-(1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate?
[3-[3-[[2-(1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate has a molecular weight of 377.47 g/mol, XLogP of 2.82, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[[2-(1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate is sourced from PubChem (CID 155025436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).