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

C24H28N4O3S — CID 27453716

IUPACN-(4-butylphenyl)-3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide
SMILESCCCCc1ccc(NC(=O)CCc2csc(NC(=O)Nc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C24H28N4O3S/c1-3-4-5-17-6-8-18(9-7-17)25-22(29)15-12-20-16-32-24(27-20)28-23(30)26-19-10-13-21(31-2)14-11-19/h6-11,13-14,16H,3-5,12,15H2,1-2H3,(H,25,29)(H2,26,27,28,30)
InChIKeyLZYHODVNDCSBHO-UHFFFAOYSA-N
MW452.58 g/mol
LogP5.71
Rot. Bonds10

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

N-(4-butylphenyl)-3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide (PubChem CID 27453716) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-(4-butylphenyl)-3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide
PubChem CID27453716
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC NameN-(4-butylphenyl)-3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide
SMILESCCCCc1ccc(NC(=O)CCc2csc(NC(=O)Nc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C24H28N4O3S/c1-3-4-5-17-6-8-18(9-7-17)25-22(29)15-12-20-16-32-24(27-20)28-23(30)26-19-10-13-21(31-2)14-11-19/h6-11,13-14,16H,3-5,12,15H2,1-2H3,(H,25,29)(H2,26,27,28,30)
InChIKeyLZYHODVNDCSBHO-UHFFFAOYSA-N
XLogP5.71
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.58
LogP ≤ 55.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylpropanamide
CID 27453695
N-(3,5-dimethylphenyl)-3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide
CID 27453781
3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-naphthalen-1-ylpropanamide
CID 27453760
N-[4-[3-(4-butylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 42208663
N-(3-methoxyphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453418
methyl 2-[3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanoylamino]benzoate
CID 27453750
3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 27453913
methyl 2-[2-[3-(4-methoxyphenyl)propanoylamino]-1,3-thiazol-4-yl]acetate
CID 38987123
3-(4-methoxyphenyl)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]propanamide
CID 16850053
[2-(4-butylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 2658341
N-(4-acetylphenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333335
2-(2-anilino-1,3-thiazol-4-yl)-N-(4-butylphenyl)acetamide
CID 30940399

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide?
The IUPAC name of N-(4-butylphenyl)-3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide (CID 27453716) is N-(4-butylphenyl)-3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide.
What is the SMILES notation for N-(4-butylphenyl)-3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide?
The canonical SMILES for N-(4-butylphenyl)-3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide is CCCCc1ccc(NC(=O)CCc2csc(NC(=O)Nc3ccc(OC)cc3)n2)cc1.
What is the InChIKey of N-(4-butylphenyl)-3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide?
The InChIKey is LZYHODVNDCSBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-3-4-5-17-6-8-18(9-7-17)25-22(29)15-12-20-16-32-24(27-20)28-23(30)26-19-10-13-21(31-2)14-11-19/h6-11,13-14,16H,3-5,12,15H2,1-2H3,(H,25,29)(H2,26,27,28,30).
What are the key properties of N-(4-butylphenyl)-3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide?
N-(4-butylphenyl)-3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide has a molecular weight of 452.58 g/mol, XLogP of 5.71, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide is sourced from PubChem (CID 27453716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).