4-methyl-N-(3-phenoxy-5-phenylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine

C21H17N3OS2 — CID 24765540

IUPAC4-methyl-N-(3-phenoxy-5-phenylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ncc(Sc3ccccc3)cc2Oc2ccccc2)n1
InChIInChI=1S/C21H17N3OS2/c1-15-14-26-21(23-15)24-20-19(25-16-8-4-2-5-9-16)12-18(13-22-20)27-17-10-6-3-7-11-17/h2-14H,1H3,(H,22,23,24)
InChIKeyODBIGGBFMSXVMF-UHFFFAOYSA-N
MW391.52 g/mol
LogP6.53
Rot. Bonds6

About 4-methyl-N-(3-phenoxy-5-phenylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine

4-methyl-N-(3-phenoxy-5-phenylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 24765540) has the molecular formula C21H17N3OS2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 4-methyl-N-(3-phenoxy-5-phenylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-(3-phenoxy-5-phenylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID24765540
Molecular FormulaC21H17N3OS2
Molecular Weight391.52 g/mol
Exact Mass391.08
IUPAC Name4-methyl-N-(3-phenoxy-5-phenylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ncc(Sc3ccccc3)cc2Oc2ccccc2)n1
InChIInChI=1S/C21H17N3OS2/c1-15-14-26-21(23-15)24-20-19(25-16-8-4-2-5-9-16)12-18(13-22-20)27-17-10-6-3-7-11-17/h2-14H,1H3,(H,22,23,24)
InChIKeyODBIGGBFMSXVMF-UHFFFAOYSA-N
XLogP6.53
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.52
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-phenoxy-5-phenylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-(3-phenoxy-5-phenylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine (CID 24765540) is 4-methyl-N-(3-phenoxy-5-phenylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-(3-phenoxy-5-phenylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-(3-phenoxy-5-phenylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine is Cc1csc(Nc2ncc(Sc3ccccc3)cc2Oc2ccccc2)n1.
What is the InChIKey of 4-methyl-N-(3-phenoxy-5-phenylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is ODBIGGBFMSXVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3OS2/c1-15-14-26-21(23-15)24-20-19(25-16-8-4-2-5-9-16)12-18(13-22-20)27-17-10-6-3-7-11-17/h2-14H,1H3,(H,22,23,24).
What are the key properties of 4-methyl-N-(3-phenoxy-5-phenylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine?
4-methyl-N-(3-phenoxy-5-phenylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 391.52 g/mol, XLogP of 6.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-phenoxy-5-phenylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 24765540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).