[2-[2-[(4-methoxyphenyl)methylamino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol

C19H18N4O2S — CID 67220726

IUPAC[2-[2-[(4-methoxyphenyl)methylamino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol
SMILESCOc1ccc(CNc2nn3cc(-c4ccccc4CO)nc3s2)cc1
InChIInChI=1S/C19H18N4O2S/c1-25-15-8-6-13(7-9-15)10-20-18-22-23-11-17(21-19(23)26-18)16-5-3-2-4-14(16)12-24/h2-9,11,24H,10,12H2,1H3,(H,20,22)
InChIKeySXNOTQSQPZPBSR-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.57
Rot. Bonds6

About [2-[2-[(4-methoxyphenyl)methylamino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol

[2-[2-[(4-methoxyphenyl)methylamino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol (PubChem CID 67220726) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is [2-[2-[(4-methoxyphenyl)methylamino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-[2-[(4-methoxyphenyl)methylamino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol
PubChem CID67220726
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name[2-[2-[(4-methoxyphenyl)methylamino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol
SMILESCOc1ccc(CNc2nn3cc(-c4ccccc4CO)nc3s2)cc1
InChIInChI=1S/C19H18N4O2S/c1-25-15-8-6-13(7-9-15)10-20-18-22-23-11-17(21-19(23)26-18)16-5-3-2-4-14(16)12-24/h2-9,11,24H,10,12H2,1H3,(H,20,22)
InChIKeySXNOTQSQPZPBSR-UHFFFAOYSA-N
XLogP3.57
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-6-[2-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67221229
6-methyl-N-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 35417217
6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67222385
N-[[4-(dimethylamino)phenyl]methyl]-6-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67221391
N-[(3,4-dimethoxyphenyl)methyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133462771
[2-[2-[ethyl(morpholin-4-yl)amino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol
CID 123710533
N-[(4-methoxyphenyl)methyl]-6-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67222167
[2-[2-[ethyl(pyridin-2-yl)amino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol
CID 123989900
N-(pyridin-3-ylmethyl)-6-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67108322
4-[2-[[6-[2-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]benzenesulfonamide
CID 67220617
3-[[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]methyl]phenol
CID 47293073
2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2608166

Frequently Asked Questions

What is the IUPAC name of [2-[2-[(4-methoxyphenyl)methylamino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol?
The IUPAC name of [2-[2-[(4-methoxyphenyl)methylamino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol (CID 67220726) is [2-[2-[(4-methoxyphenyl)methylamino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol.
What is the SMILES notation for [2-[2-[(4-methoxyphenyl)methylamino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol?
The canonical SMILES for [2-[2-[(4-methoxyphenyl)methylamino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol is COc1ccc(CNc2nn3cc(-c4ccccc4CO)nc3s2)cc1.
What is the InChIKey of [2-[2-[(4-methoxyphenyl)methylamino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol?
The InChIKey is SXNOTQSQPZPBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-25-15-8-6-13(7-9-15)10-20-18-22-23-11-17(21-19(23)26-18)16-5-3-2-4-14(16)12-24/h2-9,11,24H,10,12H2,1H3,(H,20,22).
What are the key properties of [2-[2-[(4-methoxyphenyl)methylamino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol?
[2-[2-[(4-methoxyphenyl)methylamino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol has a molecular weight of 366.45 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[(4-methoxyphenyl)methylamino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol is sourced from PubChem (CID 67220726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).