N-(4-chlorophenyl)-2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]acetamide

C21H22ClN3O3S — CID 1465598

IUPACN-(4-chlorophenyl)-2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(CCNc2nc(CC(=O)Nc3ccc(Cl)cc3)cs2)cc1OC
InChIInChI=1S/C21H22ClN3O3S/c1-27-18-8-3-14(11-19(18)28-2)9-10-23-21-25-17(13-29-21)12-20(26)24-16-6-4-15(22)5-7-16/h3-8,11,13H,9-10,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeySHOCCPUUTAWGQT-UHFFFAOYSA-N
MW431.95 g/mol
LogP4.65
Rot. Bonds9

About N-(4-chlorophenyl)-2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]acetamide

N-(4-chlorophenyl)-2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]acetamide (PubChem CID 1465598) has the molecular formula C21H22ClN3O3S and a molecular weight of 431.95 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]acetamide
PubChem CID1465598
Molecular FormulaC21H22ClN3O3S
Molecular Weight431.95 g/mol
Exact Mass431.11
IUPAC NameN-(4-chlorophenyl)-2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(CCNc2nc(CC(=O)Nc3ccc(Cl)cc3)cs2)cc1OC
InChIInChI=1S/C21H22ClN3O3S/c1-27-18-8-3-14(11-19(18)28-2)9-10-23-21-25-17(13-29-21)12-20(26)24-16-6-4-15(22)5-7-16/h3-8,11,13H,9-10,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeySHOCCPUUTAWGQT-UHFFFAOYSA-N
XLogP4.65
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.95
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 18567592
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 9404295
4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazol-2-amine
CID 84761943
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide
CID 30940810
2-[2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 16898722
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 26841633
N-[4-[2-(4-bromoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 18568020
2-(2-anilino-1,3-thiazol-4-yl)-N-(4-chlorophenyl)acetamide
CID 30940405
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 110386143
N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 18568007
N-(3,5-dichlorophenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 3482890
3,4-dimethoxy-N-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18568006

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]acetamide (CID 1465598) is N-(4-chlorophenyl)-2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]acetamide is COc1ccc(CCNc2nc(CC(=O)Nc3ccc(Cl)cc3)cs2)cc1OC.
What is the InChIKey of N-(4-chlorophenyl)-2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]acetamide?
The InChIKey is SHOCCPUUTAWGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3S/c1-27-18-8-3-14(11-19(18)28-2)9-10-23-21-25-17(13-29-21)12-20(26)24-16-6-4-15(22)5-7-16/h3-8,11,13H,9-10,12H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-(4-chlorophenyl)-2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]acetamide?
N-(4-chlorophenyl)-2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]acetamide has a molecular weight of 431.95 g/mol, XLogP of 4.65, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 1465598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).