2,2-dimethyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propane-1,3-diol

C24H25N5O3S2 — CID 59443673

IUPAC2,2-dimethyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propane-1,3-diol
SMILESCc1ncccc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C(O)C(C)(C)CO)cs1
InChIInChI=1S/C24H25N5O3S2/c1-15-18(7-6-10-25-15)32-19-11-16(34-20-8-4-5-9-26-20)12-27-22(19)29-23-28-17(13-33-23)21(31)24(2,3)14-30/h4-13,21,30-31H,14H2,1-3H3,(H,27,28,29)
InChIKeyWAEDCDRLKGBTSM-UHFFFAOYSA-N
MW495.63 g/mol
LogP5.38
Rot. Bonds9

About 2,2-dimethyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propane-1,3-diol

2,2-dimethyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propane-1,3-diol (PubChem CID 59443673) has the molecular formula C24H25N5O3S2 and a molecular weight of 495.63 g/mol. Its IUPAC name is 2,2-dimethyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propane-1,3-diol.

Molecular Properties

Compound Name2,2-dimethyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propane-1,3-diol
PubChem CID59443673
Molecular FormulaC24H25N5O3S2
Molecular Weight495.63 g/mol
Exact Mass495.14
IUPAC Name2,2-dimethyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propane-1,3-diol
SMILESCc1ncccc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C(O)C(C)(C)CO)cs1
InChIInChI=1S/C24H25N5O3S2/c1-15-18(7-6-10-25-15)32-19-11-16(34-20-8-4-5-9-26-20)12-27-22(19)29-23-28-17(13-33-23)21(31)24(2,3)14-30/h4-13,21,30-31H,14H2,1-3H3,(H,27,28,29)
InChIKeyWAEDCDRLKGBTSM-UHFFFAOYSA-N
XLogP5.38
TPSA113.28 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.63
LogP ≤ 55.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2,2-dimethyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propane-1,3-diol with MolForge

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Launch Full Analysis

Related Compounds

1-(4-(5-(3-(2-Methylpyridin-3-yloxy)-5-(pyridin-2-ylthio)pyridin-2-ylamino)-1,2,4-thiadiazol-3-yl)piperidin-1-yl)ethanone
CID 59291641
3-(Benzyloxy)-N-(4-Methyl-1,3-Thiazol-2-Yl)pyridin-2-Amine
CID 16660015
3-(Benzyloxy)-5-Methyl-N-(4-Methyl-1,3-Thiazol-2-Yl)pyridin-2-Amine
CID 59225669
5-[2-(1-Ethylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine
CID 162672976
3-(benzyloxy)-5-(benzylthio)-N-(4-methylthiazol-2-yl)pyridin-2-amine
CID 16660174
3-(benzyloxy)-N-(4-methylthiazol-2-yl)-5-(pyridin-2-ylmethylthio)pyridin-2-amine
CID 16660507
4-methyl-N-(3-phenylmethoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 16660671
4-methyl-N-(3-phenoxy-5-pyridin-4-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 24765183
4-methyl-N-(3-phenoxy-5-phenylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 24765540
N-(5-benzylsulfanyl-3-phenoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine
CID 24765640
4-methyl-N-(3-phenoxy-2-pyridinyl)-1,3-thiazol-2-amine
CID 24765842
4-cyclopropyl-N-(3-phenoxy-5-pyridin-4-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 57742580

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propane-1,3-diol?
The IUPAC name of 2,2-dimethyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propane-1,3-diol (CID 59443673) is 2,2-dimethyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propane-1,3-diol.
What is the SMILES notation for 2,2-dimethyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propane-1,3-diol?
The canonical SMILES for 2,2-dimethyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propane-1,3-diol is Cc1ncccc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C(O)C(C)(C)CO)cs1.
What is the InChIKey of 2,2-dimethyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propane-1,3-diol?
The InChIKey is WAEDCDRLKGBTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S2/c1-15-18(7-6-10-25-15)32-19-11-16(34-20-8-4-5-9-26-20)12-27-22(19)29-23-28-17(13-33-23)21(31)24(2,3)14-30/h4-13,21,30-31H,14H2,1-3H3,(H,27,28,29).
What are the key properties of 2,2-dimethyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propane-1,3-diol?
2,2-dimethyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propane-1,3-diol has a molecular weight of 495.63 g/mol, XLogP of 5.38, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propane-1,3-diol is sourced from PubChem (CID 59443673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).