4-(2,2-dichloroethenyl)-1,3-thiazol-2-amine

C5H4Cl2N2S — CID 717444

IUPAC4-(2,2-dichloroethenyl)-1,3-thiazol-2-amine
SMILESNc1nc(C=C(Cl)Cl)cs1
InChIInChI=1S/C5H4Cl2N2S/c6-4(7)1-3-2-10-5(8)9-3/h1-2H,(H2,8,9)
InChIKeyFSJBCVLGZJGWQO-UHFFFAOYSA-N
MW195.07 g/mol
LogP2.50
Rot. Bonds1

About 4-(2,2-dichloroethenyl)-1,3-thiazol-2-amine

4-(2,2-dichloroethenyl)-1,3-thiazol-2-amine (PubChem CID 717444) has the molecular formula C5H4Cl2N2S and a molecular weight of 195.07 g/mol. Its IUPAC name is 4-(2,2-dichloroethenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,2-dichloroethenyl)-1,3-thiazol-2-amine
PubChem CID717444
Molecular FormulaC5H4Cl2N2S
Molecular Weight195.07 g/mol
Exact Mass193.95
IUPAC Name4-(2,2-dichloroethenyl)-1,3-thiazol-2-amine
SMILESNc1nc(C=C(Cl)Cl)cs1
InChIInChI=1S/C5H4Cl2N2S/c6-4(7)1-3-2-10-5(8)9-3/h1-2H,(H2,8,9)
InChIKeyFSJBCVLGZJGWQO-UHFFFAOYSA-N
XLogP2.50
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.07
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dichloroethenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,2-dichloroethenyl)-1,3-thiazol-2-amine (CID 717444) is 4-(2,2-dichloroethenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,2-dichloroethenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,2-dichloroethenyl)-1,3-thiazol-2-amine is Nc1nc(C=C(Cl)Cl)cs1.
What is the InChIKey of 4-(2,2-dichloroethenyl)-1,3-thiazol-2-amine?
The InChIKey is FSJBCVLGZJGWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2N2S/c6-4(7)1-3-2-10-5(8)9-3/h1-2H,(H2,8,9).
What are the key properties of 4-(2,2-dichloroethenyl)-1,3-thiazol-2-amine?
4-(2,2-dichloroethenyl)-1,3-thiazol-2-amine has a molecular weight of 195.07 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dichloroethenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 717444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).