2-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]phenol

C15H17N5OS — CID 35417098

IUPAC2-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]phenol
SMILESCc1cn2nc(N3CCN(c4ccccc4O)CC3)sc2n1
InChIInChI=1S/C15H17N5OS/c1-11-10-20-14(16-11)22-15(17-20)19-8-6-18(7-9-19)12-4-2-3-5-13(12)21/h2-5,10,21H,6-9H2,1H3
InChIKeyRQBXLQZNRZCPPT-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.13
Rot. Bonds2

About 2-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]phenol

2-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]phenol (PubChem CID 35417098) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]phenol.

Molecular Properties

Compound Name2-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]phenol
PubChem CID35417098
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Name2-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]phenol
SMILESCc1cn2nc(N3CCN(c4ccccc4O)CC3)sc2n1
InChIInChI=1S/C15H17N5OS/c1-11-10-20-14(16-11)22-15(17-20)19-8-6-18(7-9-19)12-4-2-3-5-13(12)21/h2-5,10,21H,6-9H2,1H3
InChIKeyRQBXLQZNRZCPPT-UHFFFAOYSA-N
XLogP2.13
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-methyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 35417968
1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-3-carboxylic acid
CID 120964000
ethyl 1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidine-4-carboxylate
CID 30756005
2-[4-(5-bromo-1,3,4-thiadiazol-2-yl)piperazin-1-yl]phenol
CID 56806813
2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 94210798
N-methyl-N-[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]methanesulfonamide
CID 48736168
5-[[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 56821483
3-ethyl-5-[(1R)-1-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95283701
3-ethyl-5-[(1S)-1-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95283702
2-[4-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 25468496
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile
CID 30633436
6-tert-butyl-2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 133391235

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]phenol?
The IUPAC name of 2-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]phenol (CID 35417098) is 2-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]phenol.
What is the SMILES notation for 2-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]phenol?
The canonical SMILES for 2-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]phenol is Cc1cn2nc(N3CCN(c4ccccc4O)CC3)sc2n1.
What is the InChIKey of 2-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]phenol?
The InChIKey is RQBXLQZNRZCPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-11-10-20-14(16-11)22-15(17-20)19-8-6-18(7-9-19)12-4-2-3-5-13(12)21/h2-5,10,21H,6-9H2,1H3.
What are the key properties of 2-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]phenol?
2-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]phenol has a molecular weight of 315.40 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]phenol is sourced from PubChem (CID 35417098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).