2-[3-[[2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-yl]carbamoylamino]pyrazol-1-yl]acetamide

C17H17N7O2S — CID 166234009

IUPAC2-[3-[[2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-yl]carbamoylamino]pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1ccc(NC(=O)Nc2cccc3c2CN(c2nccs2)C3)n1
InChIInChI=1S/C17H17N7O2S/c18-14(25)10-24-6-4-15(22-24)21-16(26)20-13-3-1-2-11-8-23(9-12(11)13)17-19-5-7-27-17/h1-7H,8-10H2,(H2,18,25)(H2,20,21,22,26)
InChIKeyLLYOTCBYNFFXLU-UHFFFAOYSA-N
MW383.44 g/mol
LogP1.99
Rot. Bonds5

About 2-[3-[[2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-yl]carbamoylamino]pyrazol-1-yl]acetamide

2-[3-[[2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-yl]carbamoylamino]pyrazol-1-yl]acetamide (PubChem CID 166234009) has the molecular formula C17H17N7O2S and a molecular weight of 383.44 g/mol. Its IUPAC name is 2-[3-[[2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-yl]carbamoylamino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[[2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-yl]carbamoylamino]pyrazol-1-yl]acetamide
PubChem CID166234009
Molecular FormulaC17H17N7O2S
Molecular Weight383.44 g/mol
Exact Mass383.12
IUPAC Name2-[3-[[2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-yl]carbamoylamino]pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1ccc(NC(=O)Nc2cccc3c2CN(c2nccs2)C3)n1
InChIInChI=1S/C17H17N7O2S/c18-14(25)10-24-6-4-15(22-24)21-16(26)20-13-3-1-2-11-8-23(9-12(11)13)17-19-5-7-27-17/h1-7H,8-10H2,(H2,18,25)(H2,20,21,22,26)
InChIKeyLLYOTCBYNFFXLU-UHFFFAOYSA-N
XLogP1.99
TPSA118.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[3-[[2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-yl]carbamoylamino]pyrazol-1-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-ethyl-1,3-thiazol-2-yl)-3-[2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-yl]urea
CID 154858236
1-[2-(4-fluoro-2-methylphenyl)ethyl]-3-[2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-yl]urea
CID 71907606
2-[3-[(2-phenylphenyl)carbamoylamino]pyrazol-1-yl]acetamide
CID 86800644
1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]urea
CID 99800137
1-[(3R)-3-methylpiperidin-1-yl]-2-[[2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-yl]amino]ethanone
CID 97092380
N-(1-pyridin-4-ylpiperidin-4-yl)-2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-amine
CID 167902629
1-[2-(4-methylpyrimidin-2-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-3-phenylurea
CID 133309464
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 17425103
N-(2-ethoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 36871528
3-[3-[(2-chloro-4-fluorophenyl)carbamoylamino]pyrazol-1-yl]propanamide
CID 75524673
N-(1-pyrazol-1-ylpropan-2-yl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 51084477
2-[3-[[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoylamino]pyrazol-1-yl]acetamide
CID 166233942

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-yl]carbamoylamino]pyrazol-1-yl]acetamide?
The IUPAC name of 2-[3-[[2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-yl]carbamoylamino]pyrazol-1-yl]acetamide (CID 166234009) is 2-[3-[[2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-yl]carbamoylamino]pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[3-[[2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-yl]carbamoylamino]pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[3-[[2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-yl]carbamoylamino]pyrazol-1-yl]acetamide is NC(=O)Cn1ccc(NC(=O)Nc2cccc3c2CN(c2nccs2)C3)n1.
What is the InChIKey of 2-[3-[[2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-yl]carbamoylamino]pyrazol-1-yl]acetamide?
The InChIKey is LLYOTCBYNFFXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O2S/c18-14(25)10-24-6-4-15(22-24)21-16(26)20-13-3-1-2-11-8-23(9-12(11)13)17-19-5-7-27-17/h1-7H,8-10H2,(H2,18,25)(H2,20,21,22,26).
What are the key properties of 2-[3-[[2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-yl]carbamoylamino]pyrazol-1-yl]acetamide?
2-[3-[[2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-yl]carbamoylamino]pyrazol-1-yl]acetamide has a molecular weight of 383.44 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-yl]carbamoylamino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 166234009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).