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

C22H23ClN4O3S — CID 27453913

IUPAC3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCc2csc(NC(=O)Nc3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C22H23ClN4O3S/c1-30-19-8-5-15(6-9-19)11-12-24-20(28)10-7-18-14-31-22(26-18)27-21(29)25-17-4-2-3-16(23)13-17/h2-6,8-9,13-14H,7,10-12H2,1H3,(H,24,28)(H2,25,26,27,29)
InChIKeyKWCUQDWAFHWVQY-UHFFFAOYSA-N
MW458.97 g/mol
LogP4.74
Rot. Bonds9

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

3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide (PubChem CID 27453913) has the molecular formula C22H23ClN4O3S and a molecular weight of 458.97 g/mol. Its IUPAC name is 3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
PubChem CID27453913
Molecular FormulaC22H23ClN4O3S
Molecular Weight458.97 g/mol
Exact Mass458.12
IUPAC Name3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCc2csc(NC(=O)Nc3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C22H23ClN4O3S/c1-30-19-8-5-15(6-9-19)11-12-24-20(28)10-7-18-14-31-22(26-18)27-21(29)25-17-4-2-3-16(23)13-17/h2-6,8-9,13-14H,7,10-12H2,1H3,(H,24,28)(H2,25,26,27,29)
InChIKeyKWCUQDWAFHWVQY-UHFFFAOYSA-N
XLogP4.74
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.97
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methoxyphenyl)acetamide
CID 26841689
3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(3-methylphenyl)propanamide
CID 27454022
3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 27377304
3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[(2-chlorophenyl)methyl]propanamide
CID 27377318
3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylpropanamide
CID 27453695
3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)propanamide
CID 27454132
N-(3-bromophenyl)-3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide
CID 27454039
3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 27453922
N-(3-methoxyphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453418
N-[4-[3-[2-(4-methoxyphenyl)ethylamino]-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 42208652
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 18567626
2-[(3-chlorophenyl)carbamoylamino]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16948825

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide (CID 27453913) is 3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide is COc1ccc(CCNC(=O)CCc2csc(NC(=O)Nc3cccc(Cl)c3)n2)cc1.
What is the InChIKey of 3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The InChIKey is KWCUQDWAFHWVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3S/c1-30-19-8-5-15(6-9-19)11-12-24-20(28)10-7-18-14-31-22(26-18)27-21(29)25-17-4-2-3-16(23)13-17/h2-6,8-9,13-14H,7,10-12H2,1H3,(H,24,28)(H2,25,26,27,29).
What are the key properties of 3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide?
3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide has a molecular weight of 458.97 g/mol, XLogP of 4.74, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 27453913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).