N-(2,5-dichlorophenyl)-4-thiophen-2-yl-1,3-thiazol-2-amine

C13H8Cl2N2S2 — CID 854639

IUPACN-(2,5-dichlorophenyl)-4-thiophen-2-yl-1,3-thiazol-2-amine
SMILESClc1ccc(Cl)c(Nc2nc(-c3cccs3)cs2)c1
InChIInChI=1S/C13H8Cl2N2S2/c14-8-3-4-9(15)10(6-8)16-13-17-11(7-19-13)12-2-1-5-18-12/h1-7H,(H,16,17)
InChIKeyGCMHZKYUYHPJLP-UHFFFAOYSA-N
MW327.26 g/mol
LogP5.92
Rot. Bonds3

About N-(2,5-dichlorophenyl)-4-thiophen-2-yl-1,3-thiazol-2-amine

N-(2,5-dichlorophenyl)-4-thiophen-2-yl-1,3-thiazol-2-amine (PubChem CID 854639) has the molecular formula C13H8Cl2N2S2 and a molecular weight of 327.26 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-4-thiophen-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-4-thiophen-2-yl-1,3-thiazol-2-amine
PubChem CID854639
Molecular FormulaC13H8Cl2N2S2
Molecular Weight327.26 g/mol
Exact Mass325.95
IUPAC NameN-(2,5-dichlorophenyl)-4-thiophen-2-yl-1,3-thiazol-2-amine
SMILESClc1ccc(Cl)c(Nc2nc(-c3cccs3)cs2)c1
InChIInChI=1S/C13H8Cl2N2S2/c14-8-3-4-9(15)10(6-8)16-13-17-11(7-19-13)12-2-1-5-18-12/h1-7H,(H,16,17)
InChIKeyGCMHZKYUYHPJLP-UHFFFAOYSA-N
XLogP5.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.26
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 4200224
4-(4-aminophenyl)-N-(2,5-dichlorophenyl)-1,3-thiazol-2-amine
CID 810304
N-(6-chloro-2-methylpyrimidin-4-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 108777084
N-(2-chloro-6-methylpyrimidin-4-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 108777078
3-methyl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenol
CID 2215270
N-pyrimidin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrobromide
CID 5344926
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 110535518
4-(3-chlorophenyl)-N-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
CID 53338316
2-(3,4-dichlorophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 7915774
2-[2-(2,5-dichloroanilino)-1,3-thiazol-4-yl]acetic acid
CID 75176643
N-(2-chlorophenyl)-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine
CID 2745528
3-(2,6-dichlorophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 3453085

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-4-thiophen-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(2,5-dichlorophenyl)-4-thiophen-2-yl-1,3-thiazol-2-amine (CID 854639) is N-(2,5-dichlorophenyl)-4-thiophen-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,5-dichlorophenyl)-4-thiophen-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,5-dichlorophenyl)-4-thiophen-2-yl-1,3-thiazol-2-amine is Clc1ccc(Cl)c(Nc2nc(-c3cccs3)cs2)c1.
What is the InChIKey of N-(2,5-dichlorophenyl)-4-thiophen-2-yl-1,3-thiazol-2-amine?
The InChIKey is GCMHZKYUYHPJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2S2/c14-8-3-4-9(15)10(6-8)16-13-17-11(7-19-13)12-2-1-5-18-12/h1-7H,(H,16,17).
What are the key properties of N-(2,5-dichlorophenyl)-4-thiophen-2-yl-1,3-thiazol-2-amine?
N-(2,5-dichlorophenyl)-4-thiophen-2-yl-1,3-thiazol-2-amine has a molecular weight of 327.26 g/mol, XLogP of 5.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-4-thiophen-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 854639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).