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

C11H7Cl2N5S — CID 16741805

IUPAC4-(2,5-dichlorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2cc(Cl)ccc2Cl)c(-n2cncn2)s1
InChIInChI=1S/C11H7Cl2N5S/c12-6-1-2-8(13)7(3-6)9-10(19-11(14)17-9)18-5-15-4-16-18/h1-5H,(H2,14,17)
InChIKeyISMGDEOOXJZZGX-UHFFFAOYSA-N
MW312.19 g/mol
LogP3.28
Rot. Bonds2

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

4-(2,5-dichlorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine (PubChem CID 16741805) has the molecular formula C11H7Cl2N5S and a molecular weight of 312.19 g/mol. Its IUPAC name is 4-(2,5-dichlorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,5-dichlorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine
PubChem CID16741805
Molecular FormulaC11H7Cl2N5S
Molecular Weight312.19 g/mol
Exact Mass310.98
IUPAC Name4-(2,5-dichlorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2cc(Cl)ccc2Cl)c(-n2cncn2)s1
InChIInChI=1S/C11H7Cl2N5S/c12-6-1-2-8(13)7(3-6)9-10(19-11(14)17-9)18-5-15-4-16-18/h1-5H,(H2,14,17)
InChIKeyISMGDEOOXJZZGX-UHFFFAOYSA-N
XLogP3.28
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-chlorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine
CID 624007
5-chloro-4-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine
CID 168877940
4-(2,4-dichlorophenyl)-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-1,3-thiazol-2-amine
CID 613861
2-[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]ethanamine
CID 114862348
6-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 3060073
3-(2,5-dichlorophenyl)-1,4-dimethylpyrazol-5-amine
CID 43158813
2,5-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 31527228
1-butan-2-yl-3-(2,5-dichlorophenyl)pyrazol-4-amine
CID 83218434
4-(2,4-dichlorophenyl)-5-ethyl-1,3-thiazol-2-amine
CID 28864557
4-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine
CID 28864558
6-(2,5-dichlorophenyl)pyridazine-3,5-diamine
CID 90979911
1-(4-chlorophenyl)-N-[4-phenyl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]methanimine
CID 141139183

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,5-dichlorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine (CID 16741805) is 4-(2,5-dichlorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,5-dichlorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,5-dichlorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine is Nc1nc(-c2cc(Cl)ccc2Cl)c(-n2cncn2)s1.
What is the InChIKey of 4-(2,5-dichlorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine?
The InChIKey is ISMGDEOOXJZZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N5S/c12-6-1-2-8(13)7(3-6)9-10(19-11(14)17-9)18-5-15-4-16-18/h1-5H,(H2,14,17).
What are the key properties of 4-(2,5-dichlorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine?
4-(2,5-dichlorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine has a molecular weight of 312.19 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 16741805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).