4-[(2,3-dichloroanilino)methyl]-1,3-thiazol-2-amine

C10H9Cl2N3S — CID 96669371

IUPAC4-[(2,3-dichloroanilino)methyl]-1,3-thiazol-2-amine
SMILESNc1nc(CNc2cccc(Cl)c2Cl)cs1
InChIInChI=1S/C10H9Cl2N3S/c11-7-2-1-3-8(9(7)12)14-4-6-5-16-10(13)15-6/h1-3,5,14H,4H2,(H2,13,15)
InChIKeyKSWHYHPFNSQSDK-UHFFFAOYSA-N
MW274.18 g/mol
LogP3.64
Rot. Bonds3

About 4-[(2,3-dichloroanilino)methyl]-1,3-thiazol-2-amine

4-[(2,3-dichloroanilino)methyl]-1,3-thiazol-2-amine (PubChem CID 96669371) has the molecular formula C10H9Cl2N3S and a molecular weight of 274.18 g/mol. Its IUPAC name is 4-[(2,3-dichloroanilino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(2,3-dichloroanilino)methyl]-1,3-thiazol-2-amine
PubChem CID96669371
Molecular FormulaC10H9Cl2N3S
Molecular Weight274.18 g/mol
Exact Mass272.99
IUPAC Name4-[(2,3-dichloroanilino)methyl]-1,3-thiazol-2-amine
SMILESNc1nc(CNc2cccc(Cl)c2Cl)cs1
InChIInChI=1S/C10H9Cl2N3S/c11-7-2-1-3-8(9(7)12)14-4-6-5-16-10(13)15-6/h1-3,5,14H,4H2,(H2,13,15)
InChIKeyKSWHYHPFNSQSDK-UHFFFAOYSA-N
XLogP3.64
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dichloroanilino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(2,3-dichloroanilino)methyl]-1,3-thiazol-2-amine (CID 96669371) is 4-[(2,3-dichloroanilino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(2,3-dichloroanilino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(2,3-dichloroanilino)methyl]-1,3-thiazol-2-amine is Nc1nc(CNc2cccc(Cl)c2Cl)cs1.
What is the InChIKey of 4-[(2,3-dichloroanilino)methyl]-1,3-thiazol-2-amine?
The InChIKey is KSWHYHPFNSQSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3S/c11-7-2-1-3-8(9(7)12)14-4-6-5-16-10(13)15-6/h1-3,5,14H,4H2,(H2,13,15).
What are the key properties of 4-[(2,3-dichloroanilino)methyl]-1,3-thiazol-2-amine?
4-[(2,3-dichloroanilino)methyl]-1,3-thiazol-2-amine has a molecular weight of 274.18 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dichloroanilino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 96669371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).