[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone

C18H18N6OS — CID 99429401

IUPAC[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCN(Cc2cn3ccsc3n2)CC1
InChIInChI=1S/C18H18N6OS/c25-17(16-14-3-1-2-4-15(14)20-21-16)23-7-5-22(6-8-23)11-13-12-24-9-10-26-18(24)19-13/h1-4,9-10,12H,5-8,11H2,(H,20,21)
InChIKeyXBMFPGJHBZSGKM-UHFFFAOYSA-N
MW366.45 g/mol
LogP2.23
Rot. Bonds3

About [4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone

[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone (PubChem CID 99429401) has the molecular formula C18H18N6OS and a molecular weight of 366.45 g/mol. Its IUPAC name is [4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
PubChem CID99429401
Molecular FormulaC18H18N6OS
Molecular Weight366.45 g/mol
Exact Mass366.13
IUPAC Name[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCN(Cc2cn3ccsc3n2)CC1
InChIInChI=1S/C18H18N6OS/c25-17(16-14-3-1-2-4-15(14)20-21-16)23-7-5-22(6-8-23)11-13-12-24-9-10-26-18(24)19-13/h1-4,9-10,12H,5-8,11H2,(H,20,21)
InChIKeyXBMFPGJHBZSGKM-UHFFFAOYSA-N
XLogP2.23
TPSA69.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
1H-indazol-3-yl-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 24610035
2-[[4-(1H-indazole-3-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135891492
1H-indazol-3-yl-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 9021232
1-(azepan-1-yl)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone
CID 17407477
3-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 170858311
1H-indazol-3-yl-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 30951232
1H-indazol-3-yl-(4-phenylpiperazin-1-yl)methanone
CID 7595065
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 2474731
1H-indazol-3-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 37358947
[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 31332821
tert-butyl 4-(1H-indazole-3-carbonyl)piperazine-1-carboxylate
CID 31517577

Frequently Asked Questions

What is the IUPAC name of [4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone?
The IUPAC name of [4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone (CID 99429401) is [4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone.
What is the SMILES notation for [4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone?
The canonical SMILES for [4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone is O=C(c1n[nH]c2ccccc12)N1CCN(Cc2cn3ccsc3n2)CC1.
What is the InChIKey of [4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone?
The InChIKey is XBMFPGJHBZSGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6OS/c25-17(16-14-3-1-2-4-15(14)20-21-16)23-7-5-22(6-8-23)11-13-12-24-9-10-26-18(24)19-13/h1-4,9-10,12H,5-8,11H2,(H,20,21).
What are the key properties of [4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone?
[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone has a molecular weight of 366.45 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone is sourced from PubChem (CID 99429401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).