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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Related Compounds

1-{3-[(2-Ethylpyridin-3-Yl)oxy]-5-(Pyridin-2-Ylsulfanyl)pyridin-2-Yl}-3-Methylurea
CID 78350461
(2-Methoxy-phenyl)-(4-pyridin-3-yl-thiazol-2-yl)-amine
CID 704576
N-(3-methoxypyridin-2-yl)-5-phenyl-1,3-thiazol-2-amine
CID 5329397
3-(Benzyloxy)-N-(4-Methyl-1,3-Thiazol-2-Yl)pyridin-2-Amine
CID 16660015
2-(2-(4-Methylthiazol-2-ylamino)pyridin-3-yloxy)benzonitrile
CID 16752714
3-(Benzyloxy)-5-Methyl-N-(4-Methyl-1,3-Thiazol-2-Yl)pyridin-2-Amine
CID 59225669
(4-Ethoxy-phenyl)-(4-pyridin-3-yl-thiazol-2-yl)-amine
CID 869831
[4-(4-Methoxy-phenyl)-thiazol-2-yl]-(3-methyl-pyridin-2-yl)-amine
CID 972796
N-(3-(pyridin-3-yloxy)phenyl)-4-(thiazol-2-yl)pyrimidin-2-amine
CID 9902848
3-(Benzyloxy)-5-bromo-N-(4-methylthiazol-2-yl)pyridin-2-amine
CID 16061466
N-(5-chloro-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine
CID 16660170
3-(benzyloxy)-5-(benzylthio)-N-(4-methylthiazol-2-yl)pyridin-2-amine
CID 16660174

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).