[(1R,3S)-3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2-methylbutyl)carbamate

C20H29N5O3S — CID 155025552

IUPAC[(1R,3S)-3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2-methylbutyl)carbamate
SMILESCCC(C)CNC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)Cc3cnc(C)s3)n[nH]2)C1
InChIInChI=1S/C20H29N5O3S/c1-4-12(2)10-22-20(27)28-15-6-5-14(7-15)17-9-18(25-24-17)23-19(26)8-16-11-21-13(3)29-16/h9,11-12,14-15H,4-8,10H2,1-3H3,(H,22,27)(H2,23,24,25,26)/t12?,14-,15+/m0/s1
InChIKeySALCZABJGOQXPQ-JQXSQYPDSA-N
MW419.55 g/mol
LogP3.76
Rot. Bonds8

About [(1R,3S)-3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2-methylbutyl)carbamate

[(1R,3S)-3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2-methylbutyl)carbamate (PubChem CID 155025552) has the molecular formula C20H29N5O3S and a molecular weight of 419.55 g/mol. Its IUPAC name is [(1R,3S)-3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2-methylbutyl)carbamate.

Molecular Properties

Compound Name[(1R,3S)-3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2-methylbutyl)carbamate
PubChem CID155025552
Molecular FormulaC20H29N5O3S
Molecular Weight419.55 g/mol
Exact Mass419.20
IUPAC Name[(1R,3S)-3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2-methylbutyl)carbamate
SMILESCCC(C)CNC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)Cc3cnc(C)s3)n[nH]2)C1
InChIInChI=1S/C20H29N5O3S/c1-4-12(2)10-22-20(27)28-15-6-5-14(7-15)17-9-18(25-24-17)23-19(26)8-16-11-21-13(3)29-16/h9,11-12,14-15H,4-8,10H2,1-3H3,(H,22,27)(H2,23,24,25,26)/t12?,14-,15+/m0/s1
InChIKeySALCZABJGOQXPQ-JQXSQYPDSA-N
XLogP3.76
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [(1R,3S)-3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2-methylbutyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2-methylbutyl)carbamate?
The IUPAC name of [(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) is [(1R,3S)-3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2-methylbutyl)carbamate.
What is the SMILES notation for [(1R,3S)-3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2-methylbutyl)carbamate?
The canonical SMILES for [(1R,3S)-3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2-methylbutyl)carbamate is CCC(C)CNC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)Cc3cnc(C)s3)n[nH]2)C1.
What is the InChIKey of [(1R,3S)-3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2-methylbutyl)carbamate?
The InChIKey is SALCZABJGOQXPQ-JQXSQYPDSA-N. The full InChI is InChI=1S/C20H29N5O3S/c1-4-12(2)10-22-20(27)28-15-6-5-14(7-15)17-9-18(25-24-17)23-19(26)8-16-11-21-13(3)29-16/h9,11-12,14-15H,4-8,10H2,1-3H3,(H,22,27)(H2,23,24,25,26)/t12?,14-,15+/m0/s1.
What are the key properties of [(1R,3S)-3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2-methylbutyl)carbamate?
[(1R,3S)-3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2-methylbutyl)carbamate has a molecular weight of 419.55 g/mol, XLogP of 3.76, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2-methylbutyl)carbamate is sourced from PubChem (CID 155025552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).