5-chloro-N-(5-chloro-2-pyridinyl)-4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine

C15H12Cl2N4OS — CID 122192411

IUPAC5-chloro-N-(5-chloro-2-pyridinyl)-4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCCOc1ccc(-c2nc(Nc3ccc(Cl)cn3)sc2Cl)nc1
InChIInChI=1S/C15H12Cl2N4OS/c1-2-22-10-4-5-11(18-8-10)13-14(17)23-15(21-13)20-12-6-3-9(16)7-19-12/h3-8H,2H2,1H3,(H,19,20,21)
InChIKeyIWKHRPZHYYMCMT-UHFFFAOYSA-N
MW367.26 g/mol
LogP5.05
Rot. Bonds5

About 5-chloro-N-(5-chloro-2-pyridinyl)-4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine

5-chloro-N-(5-chloro-2-pyridinyl)-4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 122192411) has the molecular formula C15H12Cl2N4OS and a molecular weight of 367.26 g/mol. Its IUPAC name is 5-chloro-N-(5-chloro-2-pyridinyl)-4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-chloro-N-(5-chloro-2-pyridinyl)-4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID122192411
Molecular FormulaC15H12Cl2N4OS
Molecular Weight367.26 g/mol
Exact Mass366.01
IUPAC Name5-chloro-N-(5-chloro-2-pyridinyl)-4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCCOc1ccc(-c2nc(Nc3ccc(Cl)cn3)sc2Cl)nc1
InChIInChI=1S/C15H12Cl2N4OS/c1-2-22-10-4-5-11(18-8-10)13-14(17)23-15(21-13)20-12-6-3-9(16)7-19-12/h3-8H,2H2,1H3,(H,19,20,21)
InChIKeyIWKHRPZHYYMCMT-UHFFFAOYSA-N
XLogP5.05
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.26
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-chloro-2-pyridinyl)-4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-chloro-N-(5-chloro-2-pyridinyl)-4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine (CID 122192411) is 5-chloro-N-(5-chloro-2-pyridinyl)-4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-chloro-N-(5-chloro-2-pyridinyl)-4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-chloro-N-(5-chloro-2-pyridinyl)-4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine is CCOc1ccc(-c2nc(Nc3ccc(Cl)cn3)sc2Cl)nc1.
What is the InChIKey of 5-chloro-N-(5-chloro-2-pyridinyl)-4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is IWKHRPZHYYMCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4OS/c1-2-22-10-4-5-11(18-8-10)13-14(17)23-15(21-13)20-12-6-3-9(16)7-19-12/h3-8H,2H2,1H3,(H,19,20,21).
What are the key properties of 5-chloro-N-(5-chloro-2-pyridinyl)-4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine?
5-chloro-N-(5-chloro-2-pyridinyl)-4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 367.26 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-chloro-2-pyridinyl)-4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 122192411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).