N-(3-chlorophenyl)-4-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine

C20H16ClN3S2 — CID 163214677

IUPACN-(3-chlorophenyl)-4-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine
SMILESCCc1sc(-c2csc(Nc3cccc(Cl)c3)n2)nc1-c1ccccc1
InChIInChI=1S/C20H16ClN3S2/c1-2-17-18(13-7-4-3-5-8-13)24-19(26-17)16-12-25-20(23-16)22-15-10-6-9-14(21)11-15/h3-12H,2H2,1H3,(H,22,23)
InChIKeyUFNAQSUSHQDVNV-UHFFFAOYSA-N
MW397.96 g/mol
LogP6.89
Rot. Bonds5

About N-(3-chlorophenyl)-4-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine

N-(3-chlorophenyl)-4-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine (PubChem CID 163214677) has the molecular formula C20H16ClN3S2 and a molecular weight of 397.96 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine
PubChem CID163214677
Molecular FormulaC20H16ClN3S2
Molecular Weight397.96 g/mol
Exact Mass397.05
IUPAC NameN-(3-chlorophenyl)-4-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine
SMILESCCc1sc(-c2csc(Nc3cccc(Cl)c3)n2)nc1-c1ccccc1
InChIInChI=1S/C20H16ClN3S2/c1-2-17-18(13-7-4-3-5-8-13)24-19(26-17)16-12-25-20(23-16)22-15-10-6-9-14(21)11-15/h3-12H,2H2,1H3,(H,22,23)
InChIKeyUFNAQSUSHQDVNV-UHFFFAOYSA-N
XLogP6.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.96
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-chlorophenyl)-4-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine 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

N-(3-chlorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
CID 163214642
4-(3-chlorophenyl)-N-(3-propylsulfanylphenyl)-1,3-thiazol-2-amine
CID 122183985
N-[3-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-ethylbenzamide
CID 3366110
4-(3-chlorophenyl)-N-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 53338312
N-[5-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 1255045
N-[4-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]heptanamide
CID 3553749
N-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 84564808
4-(4-chlorothiophen-2-yl)-N-phenyl-1,3-thiazol-2-amine
CID 175982198
N-(3-benzylphenyl)-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine
CID 58791991
2-[2-(3-chloroanilino)-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid
CID 100950880
N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine
CID 753967
3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol
CID 877802

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(3-chlorophenyl)-4-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine (CID 163214677) is N-(3-chlorophenyl)-4-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-4-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-4-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine is CCc1sc(-c2csc(Nc3cccc(Cl)c3)n2)nc1-c1ccccc1.
What is the InChIKey of N-(3-chlorophenyl)-4-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
The InChIKey is UFNAQSUSHQDVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3S2/c1-2-17-18(13-7-4-3-5-8-13)24-19(26-17)16-12-25-20(23-16)22-15-10-6-9-14(21)11-15/h3-12H,2H2,1H3,(H,22,23).
What are the key properties of N-(3-chlorophenyl)-4-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
N-(3-chlorophenyl)-4-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine has a molecular weight of 397.96 g/mol, XLogP of 6.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 163214677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).