N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide

C20H16Cl2N2O2S — CID 58609977

IUPACN-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3nc(-c4ccc(Cl)c(Cl)c4)cs3)CC2)cc1
InChIInChI=1S/C20H16Cl2N2O2S/c1-26-14-5-3-13(4-6-14)20(8-9-20)18(25)24-19-23-17(11-27-19)12-2-7-15(21)16(22)10-12/h2-7,10-11H,8-9H2,1H3,(H,23,24,25)
InChIKeyPOKJXTICOFYCKB-UHFFFAOYSA-N
MW419.33 g/mol
LogP5.80
Rot. Bonds5

About N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide

N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 58609977) has the molecular formula C20H16Cl2N2O2S and a molecular weight of 419.33 g/mol. Its IUPAC name is N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID58609977
Molecular FormulaC20H16Cl2N2O2S
Molecular Weight419.33 g/mol
Exact Mass418.03
IUPAC NameN-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3nc(-c4ccc(Cl)c(Cl)c4)cs3)CC2)cc1
InChIInChI=1S/C20H16Cl2N2O2S/c1-26-14-5-3-13(4-6-14)20(8-9-20)18(25)24-19-23-17(11-27-19)12-2-7-15(21)16(22)10-12/h2-7,10-11H,8-9H2,1H3,(H,23,24,25)
InChIKeyPOKJXTICOFYCKB-UHFFFAOYSA-N
XLogP5.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.33
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 7915551
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41324868
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1-cyanocyclohexane-1-carboxamide
CID 60584141
2-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 8748052
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-1-phenylcyclopropane-1-carboxamide
CID 26065990
2-bromo-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 63678715
N-(4-chloro-2,5-dimethoxyphenyl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198551
2-(4-chlorophenyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4244031
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 7603429
N-(4-chloro-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 58554483
[2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 30439799
2-(4-cyanophenoxy)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 2473057

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide (CID 58609977) is N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide is COc1ccc(C2(C(=O)Nc3nc(-c4ccc(Cl)c(Cl)c4)cs3)CC2)cc1.
What is the InChIKey of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is POKJXTICOFYCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O2S/c1-26-14-5-3-13(4-6-14)20(8-9-20)18(25)24-19-23-17(11-27-19)12-2-7-15(21)16(22)10-12/h2-7,10-11H,8-9H2,1H3,(H,23,24,25).
What are the key properties of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide?
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 419.33 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 58609977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).