2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylacetamide

C18H24N4O2S — CID 41211433

IUPAC2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylacetamide
SMILESCCCCCNC(=O)Cc1csc(NC(=O)Nc2cccc(C)c2)n1
InChIInChI=1S/C18H24N4O2S/c1-3-4-5-9-19-16(23)11-15-12-25-18(21-15)22-17(24)20-14-8-6-7-13(2)10-14/h6-8,10,12H,3-5,9,11H2,1-2H3,(H,19,23)(H2,20,21,22,24)
InChIKeyYNYMMEBHSCRTAW-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.94
Rot. Bonds8

About 2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylacetamide

2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylacetamide (PubChem CID 41211433) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylacetamide.

Molecular Properties

Compound Name2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylacetamide
PubChem CID41211433
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylacetamide
SMILESCCCCCNC(=O)Cc1csc(NC(=O)Nc2cccc(C)c2)n1
InChIInChI=1S/C18H24N4O2S/c1-3-4-5-9-19-16(23)11-15-12-25-18(21-15)22-17(24)20-14-8-6-7-13(2)10-14/h6-8,10,12H,3-5,9,11H2,1-2H3,(H,19,23)(H2,20,21,22,24)
InChIKeyYNYMMEBHSCRTAW-UHFFFAOYSA-N
XLogP3.94
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylacetamide
CID 41211843
2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]-N-propylacetamide
CID 18567678
N-(4-bromo-2-methylphenyl)-2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41211289
N-(2-methoxy-4-methylphenyl)-2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567570
N-(4-methoxy-3-methylphenyl)-2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567571
3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(3-methylphenyl)propanamide
CID 27454022
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2,4-dimethylphenyl)acetamide
CID 26841697
2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide
CID 18567492
N,N-diethyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948431
2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-butylacetamide
CID 110342257
N-benzyl-2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 26841666
N-(4-methylphenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567499

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylacetamide?
The IUPAC name of 2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylacetamide (CID 41211433) is 2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylacetamide.
What is the SMILES notation for 2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylacetamide?
The canonical SMILES for 2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylacetamide is CCCCCNC(=O)Cc1csc(NC(=O)Nc2cccc(C)c2)n1.
What is the InChIKey of 2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylacetamide?
The InChIKey is YNYMMEBHSCRTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-3-4-5-9-19-16(23)11-15-12-25-18(21-15)22-17(24)20-14-8-6-7-13(2)10-14/h6-8,10,12H,3-5,9,11H2,1-2H3,(H,19,23)(H2,20,21,22,24).
What are the key properties of 2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylacetamide?
2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylacetamide has a molecular weight of 360.48 g/mol, XLogP of 3.94, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylacetamide is sourced from PubChem (CID 41211433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).