4-(2,4-dichlorophenyl)-1,3-thiazole

C9H5Cl2NS — CID 4009904

IUPAC4-(2,4-dichlorophenyl)-1,3-thiazole
SMILESClc1ccc(-c2cscn2)c(Cl)c1
InChIInChI=1S/C9H5Cl2NS/c10-6-1-2-7(8(11)3-6)9-4-13-5-12-9/h1-5H
InChIKeyKSGIKFJCCZIESB-UHFFFAOYSA-N
MW230.12 g/mol
LogP4.12
Rot. Bonds1

About 4-(2,4-dichlorophenyl)-1,3-thiazole

4-(2,4-dichlorophenyl)-1,3-thiazole (PubChem CID 4009904) has the molecular formula C9H5Cl2NS and a molecular weight of 230.12 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-1,3-thiazole
PubChem CID4009904
Molecular FormulaC9H5Cl2NS
Molecular Weight230.12 g/mol
Exact Mass228.95
IUPAC Name4-(2,4-dichlorophenyl)-1,3-thiazole
SMILESClc1ccc(-c2cscn2)c(Cl)c1
InChIInChI=1S/C9H5Cl2NS/c10-6-1-2-7(8(11)3-6)9-4-13-5-12-9/h1-5H
InChIKeyKSGIKFJCCZIESB-UHFFFAOYSA-N
XLogP4.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.12
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-(1,3-thiazol-4-yl)aniline
CID 130774740
4-(2-chloro-4-methoxyphenyl)-1,3-thiazole
CID 4998959
4-(4-bromo-7-chloronaphthalen-1-yl)-1,3-thiazole
CID 173030169
4-[5-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazole
CID 142709516
4-[5-chloro-2-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazole
CID 175271280
4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
CID 704237
2,4,6-tris(2,4-dichlorophenyl)pyridine
CID 86059634
2-chloro-4-(2,4-dichlorophenyl)pyrimidine
CID 11086481
4-(2,4-dichlorophenyl)-1,3-oxazole
CID 76539815
6-chloro-5-(2,4-dichlorophenyl)pyridin-3-ol
CID 119005357
2,6-bis(2,4-dichlorophenyl)pyridin-4-amine
CID 133087176
4-(2,4-dichlorophenyl)pyrimidin-2-amine
CID 4773592

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-1,3-thiazole?
The IUPAC name of 4-(2,4-dichlorophenyl)-1,3-thiazole (CID 4009904) is 4-(2,4-dichlorophenyl)-1,3-thiazole.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-1,3-thiazole?
The canonical SMILES for 4-(2,4-dichlorophenyl)-1,3-thiazole is Clc1ccc(-c2cscn2)c(Cl)c1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-1,3-thiazole?
The InChIKey is KSGIKFJCCZIESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2NS/c10-6-1-2-7(8(11)3-6)9-4-13-5-12-9/h1-5H.
What are the key properties of 4-(2,4-dichlorophenyl)-1,3-thiazole?
4-(2,4-dichlorophenyl)-1,3-thiazole has a molecular weight of 230.12 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-1,3-thiazole is sourced from PubChem (CID 4009904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).