5-[2-(2-chloroanilino)-1,3-thiazol-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine

C15H15ClN4S2 — CID 123973033

IUPAC5-[2-(2-chloroanilino)-1,3-thiazol-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine
SMILESCCNc1nc(C)c(-c2csc(Nc3ccccc3Cl)n2)s1
InChIInChI=1S/C15H15ClN4S2/c1-3-17-14-18-9(2)13(22-14)12-8-21-15(20-12)19-11-7-5-4-6-10(11)16/h4-8H,3H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyLNKPEBJBYWQRHP-UHFFFAOYSA-N
MW350.90 g/mol
LogP5.40
Rot. Bonds5

About 5-[2-(2-chloroanilino)-1,3-thiazol-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine

5-[2-(2-chloroanilino)-1,3-thiazol-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine (PubChem CID 123973033) has the molecular formula C15H15ClN4S2 and a molecular weight of 350.90 g/mol. Its IUPAC name is 5-[2-(2-chloroanilino)-1,3-thiazol-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[2-(2-chloroanilino)-1,3-thiazol-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine
PubChem CID123973033
Molecular FormulaC15H15ClN4S2
Molecular Weight350.90 g/mol
Exact Mass350.04
IUPAC Name5-[2-(2-chloroanilino)-1,3-thiazol-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine
SMILESCCNc1nc(C)c(-c2csc(Nc3ccccc3Cl)n2)s1
InChIInChI=1S/C15H15ClN4S2/c1-3-17-14-18-9(2)13(22-14)12-8-21-15(20-12)19-11-7-5-4-6-10(11)16/h4-8H,3H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyLNKPEBJBYWQRHP-UHFFFAOYSA-N
XLogP5.40
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.90
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-chloroanilino)-1,3-thiazol-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[2-(2-chloroanilino)-1,3-thiazol-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine (CID 123973033) is 5-[2-(2-chloroanilino)-1,3-thiazol-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[2-(2-chloroanilino)-1,3-thiazol-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[2-(2-chloroanilino)-1,3-thiazol-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine is CCNc1nc(C)c(-c2csc(Nc3ccccc3Cl)n2)s1.
What is the InChIKey of 5-[2-(2-chloroanilino)-1,3-thiazol-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine?
The InChIKey is LNKPEBJBYWQRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4S2/c1-3-17-14-18-9(2)13(22-14)12-8-21-15(20-12)19-11-7-5-4-6-10(11)16/h4-8H,3H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 5-[2-(2-chloroanilino)-1,3-thiazol-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine?
5-[2-(2-chloroanilino)-1,3-thiazol-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine has a molecular weight of 350.90 g/mol, XLogP of 5.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-chloroanilino)-1,3-thiazol-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 123973033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).