1-[2-[[5-pyridin-2-ylsulfanyl-3-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol

C21H22N6O3S2 — CID 59443631

IUPAC1-[2-[[5-pyridin-2-ylsulfanyl-3-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
SMILESCc1nn(C)c(C)c1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C(O)CO)cs1
InChIInChI=1S/C21H22N6O3S2/c1-12-19(13(2)27(3)26-12)30-17-8-14(32-18-6-4-5-7-22-18)9-23-20(17)25-21-24-15(11-31-21)16(29)10-28/h4-9,11,16,28-29H,10H2,1-3H3,(H,23,24,25)
InChIKeyYGZBOBXMNKXJHQ-UHFFFAOYSA-N
MW470.58 g/mol
LogP4.00
Rot. Bonds8

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

1-[2-[[5-pyridin-2-ylsulfanyl-3-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol (PubChem CID 59443631) has the molecular formula C21H22N6O3S2 and a molecular weight of 470.58 g/mol. Its IUPAC name is 1-[2-[[5-pyridin-2-ylsulfanyl-3-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[2-[[5-pyridin-2-ylsulfanyl-3-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
PubChem CID59443631
Molecular FormulaC21H22N6O3S2
Molecular Weight470.58 g/mol
Exact Mass470.12
IUPAC Name1-[2-[[5-pyridin-2-ylsulfanyl-3-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
SMILESCc1nn(C)c(C)c1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C(O)CO)cs1
InChIInChI=1S/C21H22N6O3S2/c1-12-19(13(2)27(3)26-12)30-17-8-14(32-18-6-4-5-7-22-18)9-23-20(17)25-21-24-15(11-31-21)16(29)10-28/h4-9,11,16,28-29H,10H2,1-3H3,(H,23,24,25)
InChIKeyYGZBOBXMNKXJHQ-UHFFFAOYSA-N
XLogP4.00
TPSA118.21 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.58
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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

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Launch Full Analysis

Related Compounds

4-methyl-N-(3-phenoxy-5-pyridin-4-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 24765183
4-ethyl-N-(3-phenoxy-5-pyridin-4-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 57742610
4-methyl-N-(3-phenoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 57742772
(1S)-1-[5-[[3-[(2,6-dimethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]ethane-1,2-diol
CID 25235270
Arry-403
CID 25235269
1-[5-[[3-[(2,6-Dimethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]ethane-1,2-diol
CID 66584158
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methoxy-2-pyridinyl)-1,3-thiazol-2-amine
CID 134153919
4-[4-[2-[(3-methoxy-2-pyridinyl)amino]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-2-yl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol
CID 177376512
4-[4-[2-[(5-methoxy-2-pyridinyl)amino]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-2-yl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol
CID 177376513
1,3-dimethyl-N-[(2S)-2-pyridin-3-yloxypropyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 97282166
(2S)-N-[3-Fluoro-6-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridyl]-4-methyl-2-(4-methylthiazol-2-yl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-8-amine
CID 57512854
N-(5-bromo-3-phenoxypyridin-2-yl)-4-[[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxymethyl]-1,3-thiazol-2-amine
CID 57742611

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-pyridin-2-ylsulfanyl-3-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?
The IUPAC name of 1-[2-[[5-pyridin-2-ylsulfanyl-3-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol (CID 59443631) is 1-[2-[[5-pyridin-2-ylsulfanyl-3-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[2-[[5-pyridin-2-ylsulfanyl-3-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?
The canonical SMILES for 1-[2-[[5-pyridin-2-ylsulfanyl-3-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol is Cc1nn(C)c(C)c1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C(O)CO)cs1.
What is the InChIKey of 1-[2-[[5-pyridin-2-ylsulfanyl-3-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?
The InChIKey is YGZBOBXMNKXJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O3S2/c1-12-19(13(2)27(3)26-12)30-17-8-14(32-18-6-4-5-7-22-18)9-23-20(17)25-21-24-15(11-31-21)16(29)10-28/h4-9,11,16,28-29H,10H2,1-3H3,(H,23,24,25).
What are the key properties of 1-[2-[[5-pyridin-2-ylsulfanyl-3-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?
1-[2-[[5-pyridin-2-ylsulfanyl-3-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol has a molecular weight of 470.58 g/mol, XLogP of 4.00, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-pyridin-2-ylsulfanyl-3-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol is sourced from PubChem (CID 59443631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).