5-chloro-N-(5-chloro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine

C14H7Cl2F3N4S — CID 122192410

IUPAC5-chloro-N-(5-chloro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1ccc(-c2nc(Nc3ccc(Cl)cn3)sc2Cl)nc1
InChIInChI=1S/C14H7Cl2F3N4S/c15-8-2-4-10(21-6-8)22-13-23-11(12(16)24-13)9-3-1-7(5-20-9)14(17,18)19/h1-6H,(H,21,22,23)
InChIKeyDLUBHDRYMBFWBL-UHFFFAOYSA-N
MW391.21 g/mol
LogP5.67
Rot. Bonds3

About 5-chloro-N-(5-chloro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine

5-chloro-N-(5-chloro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 122192410) has the molecular formula C14H7Cl2F3N4S and a molecular weight of 391.21 g/mol. Its IUPAC name is 5-chloro-N-(5-chloro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-chloro-N-(5-chloro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine
PubChem CID122192410
Molecular FormulaC14H7Cl2F3N4S
Molecular Weight391.21 g/mol
Exact Mass389.97
IUPAC Name5-chloro-N-(5-chloro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1ccc(-c2nc(Nc3ccc(Cl)cn3)sc2Cl)nc1
InChIInChI=1S/C14H7Cl2F3N4S/c15-8-2-4-10(21-6-8)22-13-23-11(12(16)24-13)9-3-1-7(5-20-9)14(17,18)19/h1-6H,(H,21,22,23)
InChIKeyDLUBHDRYMBFWBL-UHFFFAOYSA-N
XLogP5.67
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.21
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-chloro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-chloro-N-(5-chloro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine (CID 122192410) is 5-chloro-N-(5-chloro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-chloro-N-(5-chloro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-chloro-N-(5-chloro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine is FC(F)(F)c1ccc(-c2nc(Nc3ccc(Cl)cn3)sc2Cl)nc1.
What is the InChIKey of 5-chloro-N-(5-chloro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is DLUBHDRYMBFWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2F3N4S/c15-8-2-4-10(21-6-8)22-13-23-11(12(16)24-13)9-3-1-7(5-20-9)14(17,18)19/h1-6H,(H,21,22,23).
What are the key properties of 5-chloro-N-(5-chloro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine?
5-chloro-N-(5-chloro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 391.21 g/mol, XLogP of 5.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-chloro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 122192410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).