5-[2-(3-methoxy-4-piperidin-4-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrimidin-2-amine

C20H21N7O2S — CID 67283910

IUPAC5-[2-(3-methoxy-4-piperidin-4-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrimidin-2-amine
SMILESCOc1cc(-c2nn3c(-c4cnc(N)nc4)cnc3s2)ccc1OC1CCNCC1
InChIInChI=1S/C20H21N7O2S/c1-28-17-8-12(2-3-16(17)29-14-4-6-22-7-5-14)18-26-27-15(11-25-20(27)30-18)13-9-23-19(21)24-10-13/h2-3,8-11,14,22H,4-7H2,1H3,(H2,21,23,24)
InChIKeyZOLVBLFHQQAYHY-UHFFFAOYSA-N
MW423.50 g/mol
LogP2.64
Rot. Bonds5

About 5-[2-(3-methoxy-4-piperidin-4-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrimidin-2-amine

5-[2-(3-methoxy-4-piperidin-4-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrimidin-2-amine (PubChem CID 67283910) has the molecular formula C20H21N7O2S and a molecular weight of 423.50 g/mol. Its IUPAC name is 5-[2-(3-methoxy-4-piperidin-4-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-(3-methoxy-4-piperidin-4-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrimidin-2-amine
PubChem CID67283910
Molecular FormulaC20H21N7O2S
Molecular Weight423.50 g/mol
Exact Mass423.15
IUPAC Name5-[2-(3-methoxy-4-piperidin-4-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrimidin-2-amine
SMILESCOc1cc(-c2nn3c(-c4cnc(N)nc4)cnc3s2)ccc1OC1CCNCC1
InChIInChI=1S/C20H21N7O2S/c1-28-17-8-12(2-3-16(17)29-14-4-6-22-7-5-14)18-26-27-15(11-25-20(27)30-18)13-9-23-19(21)24-10-13/h2-3,8-11,14,22H,4-7H2,1H3,(H2,21,23,24)
InChIKeyZOLVBLFHQQAYHY-UHFFFAOYSA-N
XLogP2.64
TPSA112.48 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

6-(3,4-Dimethoxyphenyl)-3-pyridin-2-yl-(1,2,4)triazolo(3,4-b)(1,3,4)thiadiazole
CID 662931
2-Methoxy-4-[2-(tetrahydropyran-4-ylmethyl-amino)imidazo [2,1-b][1,3,4] thiadiazo-5-yl]phenol
CID 58285395
N-[(3,4-dimethoxyphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
CID 70689068
2-bromo-N-[3-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]prop-2-enamide
CID 122187374
1-[5-[4-Fluoro-2-(2-methoxyethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-amine
CID 168284556
1-[5-(4-Fluoro-2-propan-2-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-amine
CID 168286352
9-[5-(4-Fluoro-2-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-oxa-1,9-diazaspiro[5.5]undecane
CID 168297830
5-(3,4-dimethoxy-phenyl)-N-(4-pyridylmethyl) imidazo[2,1-b] [1,3,4]thiadiazol-2-amine
CID 58285376
5-(3,4-dimethoxy-phenyl)-N-[2-(4-pyridyl) ethyl]imidazo [2,1-b][1,3,4] thiadiazol-2-amine
CID 58285414
3-[[5-(3,4-Dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]propan-1-ol
CID 58285508
2-Amino-5-[2-(3,4-dimethoxy-phenyl)-imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-nicotinonitrile
CID 46941128
5-[2-(3,4-Dimethoxy-phenyl)-imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-pyridine-2-carbonitrile
CID 66716849

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-methoxy-4-piperidin-4-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrimidin-2-amine?
The IUPAC name of 5-[2-(3-methoxy-4-piperidin-4-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrimidin-2-amine (CID 67283910) is 5-[2-(3-methoxy-4-piperidin-4-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[2-(3-methoxy-4-piperidin-4-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[2-(3-methoxy-4-piperidin-4-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrimidin-2-amine is COc1cc(-c2nn3c(-c4cnc(N)nc4)cnc3s2)ccc1OC1CCNCC1.
What is the InChIKey of 5-[2-(3-methoxy-4-piperidin-4-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrimidin-2-amine?
The InChIKey is ZOLVBLFHQQAYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O2S/c1-28-17-8-12(2-3-16(17)29-14-4-6-22-7-5-14)18-26-27-15(11-25-20(27)30-18)13-9-23-19(21)24-10-13/h2-3,8-11,14,22H,4-7H2,1H3,(H2,21,23,24).
What are the key properties of 5-[2-(3-methoxy-4-piperidin-4-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrimidin-2-amine?
5-[2-(3-methoxy-4-piperidin-4-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrimidin-2-amine has a molecular weight of 423.50 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-methoxy-4-piperidin-4-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 67283910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).