2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-(2,4-dimethylphenyl)acetamide

C22H29N5O2S — CID 90529497

IUPAC2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCc3nc(NC(=O)NC4CCCC4)sc3C2)c(C)c1
InChIInChI=1S/C22H29N5O2S/c1-14-7-8-17(15(2)11-14)24-20(28)13-27-10-9-18-19(12-27)30-22(25-18)26-21(29)23-16-5-3-4-6-16/h7-8,11,16H,3-6,9-10,12-13H2,1-2H3,(H,24,28)(H2,23,25,26,29)
InChIKeyXACSNOGQZIZWBF-UHFFFAOYSA-N
MW427.57 g/mol
LogP3.82
Rot. Bonds5

About 2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-(2,4-dimethylphenyl)acetamide

2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-(2,4-dimethylphenyl)acetamide (PubChem CID 90529497) has the molecular formula C22H29N5O2S and a molecular weight of 427.57 g/mol. Its IUPAC name is 2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-(2,4-dimethylphenyl)acetamide
PubChem CID90529497
Molecular FormulaC22H29N5O2S
Molecular Weight427.57 g/mol
Exact Mass427.20
IUPAC Name2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCc3nc(NC(=O)NC4CCCC4)sc3C2)c(C)c1
InChIInChI=1S/C22H29N5O2S/c1-14-7-8-17(15(2)11-14)24-20(28)13-27-10-9-18-19(12-27)30-22(25-18)26-21(29)23-16-5-3-4-6-16/h7-8,11,16H,3-6,9-10,12-13H2,1-2H3,(H,24,28)(H2,23,25,26,29)
InChIKeyXACSNOGQZIZWBF-UHFFFAOYSA-N
XLogP3.82
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531275
N-tert-butyl-2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide
CID 90529559
N-(3-chlorophenyl)-2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide
CID 90529505
2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-propylacetamide
CID 90529556
2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 90529523
2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-(2-methoxyethyl)acetamide
CID 90529561
2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-(3-nitrophenyl)acetamide
CID 90529527
1-[5-[(4-chlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea
CID 90529575
1-cyclopentyl-3-[5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 90529572
1-cyclopentyl-3-[5-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 90529591
1-cyclopentyl-3-[5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 90529478
1-(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-cyclopentylurea
CID 90529287

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-(2,4-dimethylphenyl)acetamide (CID 90529497) is 2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CN2CCc3nc(NC(=O)NC4CCCC4)sc3C2)c(C)c1.
What is the InChIKey of 2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is XACSNOGQZIZWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2S/c1-14-7-8-17(15(2)11-14)24-20(28)13-27-10-9-18-19(12-27)30-22(25-18)26-21(29)23-16-5-3-4-6-16/h7-8,11,16H,3-6,9-10,12-13H2,1-2H3,(H,24,28)(H2,23,25,26,29).
What are the key properties of 2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-(2,4-dimethylphenyl)acetamide?
2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 427.57 g/mol, XLogP of 3.82, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 90529497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).