2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2,3-dimethylphenyl)acetamide

C19H24N4O2S — CID 27542821

IUPAC2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cc2csc(NC(=O)NC3CCCC3)n2)c1C
InChIInChI=1S/C19H24N4O2S/c1-12-6-5-9-16(13(12)2)22-17(24)10-15-11-26-19(21-15)23-18(25)20-14-7-3-4-8-14/h5-6,9,11,14H,3-4,7-8,10H2,1-2H3,(H,22,24)(H2,20,21,23,25)
InChIKeyLBAOFUVTVNNETB-UHFFFAOYSA-N
MW372.49 g/mol
LogP4.01
Rot. Bonds5

About 2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2,3-dimethylphenyl)acetamide

2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 27542821) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2,3-dimethylphenyl)acetamide
PubChem CID27542821
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cc2csc(NC(=O)NC3CCCC3)n2)c1C
InChIInChI=1S/C19H24N4O2S/c1-12-6-5-9-16(13(12)2)22-17(24)10-15-11-26-19(21-15)23-18(25)20-14-7-3-4-8-14/h5-6,9,11,14H,3-4,7-8,10H2,1-2H3,(H,22,24)(H2,20,21,23,25)
InChIKeyLBAOFUVTVNNETB-UHFFFAOYSA-N
XLogP4.01
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2,3-dimethylphenyl)acetamide (CID 27542821) is 2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)Cc2csc(NC(=O)NC3CCCC3)n2)c1C.
What is the InChIKey of 2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is LBAOFUVTVNNETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-12-6-5-9-16(13(12)2)22-17(24)10-15-11-26-19(21-15)23-18(25)20-14-7-3-4-8-14/h5-6,9,11,14H,3-4,7-8,10H2,1-2H3,(H,22,24)(H2,20,21,23,25).
What are the key properties of 2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2,3-dimethylphenyl)acetamide?
2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 372.49 g/mol, XLogP of 4.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 27542821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).