3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylpropanamide

C19H26N4O3S — CID 27453695

IUPAC3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylpropanamide
SMILESCCCCCNC(=O)CCc1csc(NC(=O)Nc2ccc(OC)cc2)n1
InChIInChI=1S/C19H26N4O3S/c1-3-4-5-12-20-17(24)11-8-15-13-27-19(22-15)23-18(25)21-14-6-9-16(26-2)10-7-14/h6-7,9-10,13H,3-5,8,11-12H2,1-2H3,(H,20,24)(H2,21,22,23,25)
InChIKeyVCKVOZKYQUCCJX-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.03
Rot. Bonds10

About 3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylpropanamide

3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylpropanamide (PubChem CID 27453695) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is 3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylpropanamide.

Molecular Properties

Compound Name3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylpropanamide
PubChem CID27453695
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylpropanamide
SMILESCCCCCNC(=O)CCc1csc(NC(=O)Nc2ccc(OC)cc2)n1
InChIInChI=1S/C19H26N4O3S/c1-3-4-5-12-20-17(24)11-8-15-13-27-19(22-15)23-18(25)21-14-6-9-16(26-2)10-7-14/h6-7,9-10,13H,3-5,8,11-12H2,1-2H3,(H,20,24)(H2,21,22,23,25)
InChIKeyVCKVOZKYQUCCJX-UHFFFAOYSA-N
XLogP4.03
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-butylphenyl)-3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide
CID 27453716
N-(3,5-dimethylphenyl)-3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide
CID 27453781
3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 27453913
2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylacetamide
CID 41211843
3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-naphthalen-1-ylpropanamide
CID 27453760
methyl 2-[3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanoylamino]benzoate
CID 27453750
N-(3-methoxyphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453418
1-dodecyl-3-(4-methoxyphenyl)urea
CID 172727415
2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylacetamide
CID 41211433
N-[4-[3-[2-(4-methoxyphenyl)ethylamino]-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 42208652
1-[4-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)urea
CID 27453540
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methoxyphenyl)acetamide
CID 26841689

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylpropanamide?
The IUPAC name of 3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylpropanamide (CID 27453695) is 3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylpropanamide.
What is the SMILES notation for 3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylpropanamide?
The canonical SMILES for 3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylpropanamide is CCCCCNC(=O)CCc1csc(NC(=O)Nc2ccc(OC)cc2)n1.
What is the InChIKey of 3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylpropanamide?
The InChIKey is VCKVOZKYQUCCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-3-4-5-12-20-17(24)11-8-15-13-27-19(22-15)23-18(25)21-14-6-9-16(26-2)10-7-14/h6-7,9-10,13H,3-5,8,11-12H2,1-2H3,(H,20,24)(H2,21,22,23,25).
What are the key properties of 3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylpropanamide?
3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylpropanamide has a molecular weight of 390.51 g/mol, XLogP of 4.03, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylpropanamide is sourced from PubChem (CID 27453695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).