N-[4-(2-chlorophenoxy)-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine

C15H12ClN3OS — CID 24826506

IUPACN-[4-(2-chlorophenoxy)-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(Nc2cc(Oc3ccccc3Cl)ccn2)n1
InChIInChI=1S/C15H12ClN3OS/c1-10-9-21-15(18-10)19-14-8-11(6-7-17-14)20-13-5-3-2-4-12(13)16/h2-9H,1H3,(H,17,18,19)
InChIKeyVPSOVPAOIHAJJC-UHFFFAOYSA-N
MW317.80 g/mol
LogP5.04
Rot. Bonds4

About N-[4-(2-chlorophenoxy)-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine

N-[4-(2-chlorophenoxy)-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 24826506) has the molecular formula C15H12ClN3OS and a molecular weight of 317.80 g/mol. Its IUPAC name is N-[4-(2-chlorophenoxy)-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-(2-chlorophenoxy)-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID24826506
Molecular FormulaC15H12ClN3OS
Molecular Weight317.80 g/mol
Exact Mass317.04
IUPAC NameN-[4-(2-chlorophenoxy)-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(Nc2cc(Oc3ccccc3Cl)ccn2)n1
InChIInChI=1S/C15H12ClN3OS/c1-10-9-21-15(18-10)19-14-8-11(6-7-17-14)20-13-5-3-2-4-12(13)16/h2-9H,1H3,(H,17,18,19)
InChIKeyVPSOVPAOIHAJJC-UHFFFAOYSA-N
XLogP5.04
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.80
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenoxy)-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[4-(2-chlorophenoxy)-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine (CID 24826506) is N-[4-(2-chlorophenoxy)-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-(2-chlorophenoxy)-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-(2-chlorophenoxy)-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine is Cc1csc(Nc2cc(Oc3ccccc3Cl)ccn2)n1.
What is the InChIKey of N-[4-(2-chlorophenoxy)-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is VPSOVPAOIHAJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3OS/c1-10-9-21-15(18-10)19-14-8-11(6-7-17-14)20-13-5-3-2-4-12(13)16/h2-9H,1H3,(H,17,18,19).
What are the key properties of N-[4-(2-chlorophenoxy)-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine?
N-[4-(2-chlorophenoxy)-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 317.80 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenoxy)-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 24826506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).