imidazo[2,1-b][1,3]thiazol-6-yl-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone

C12H13N7O2S — CID 157013598

IUPACimidazo[2,1-b][1,3]thiazol-6-yl-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone
SMILESCn1nnc(C2CN(C(=O)c3cn4ccsc4n3)CCO2)n1
InChIInChI=1S/C12H13N7O2S/c1-17-15-10(14-16-17)9-7-18(2-4-21-9)11(20)8-6-19-3-5-22-12(19)13-8/h3,5-6,9H,2,4,7H2,1H3
InChIKeyRPJNGHOESBSPKU-UHFFFAOYSA-N
MW319.35 g/mol
LogP0.13
Rot. Bonds2

About imidazo[2,1-b][1,3]thiazol-6-yl-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone

imidazo[2,1-b][1,3]thiazol-6-yl-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone (PubChem CID 157013598) has the molecular formula C12H13N7O2S and a molecular weight of 319.35 g/mol. Its IUPAC name is imidazo[2,1-b][1,3]thiazol-6-yl-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Nameimidazo[2,1-b][1,3]thiazol-6-yl-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone
PubChem CID157013598
Molecular FormulaC12H13N7O2S
Molecular Weight319.35 g/mol
Exact Mass319.09
IUPAC Nameimidazo[2,1-b][1,3]thiazol-6-yl-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone
SMILESCn1nnc(C2CN(C(=O)c3cn4ccsc4n3)CCO2)n1
InChIInChI=1S/C12H13N7O2S/c1-17-15-10(14-16-17)9-7-18(2-4-21-9)11(20)8-6-19-3-5-22-12(19)13-8/h3,5-6,9H,2,4,7H2,1H3
InChIKeyRPJNGHOESBSPKU-UHFFFAOYSA-N
XLogP0.13
TPSA90.44 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

(1-methylimidazol-2-yl)-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone
CID 157014614
(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone
CID 157014027
(4-methoxypiperidin-4-yl)-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone
CID 157014071
3-ethoxy-1-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]propan-1-one
CID 157020129
(4-methoxy-3-morpholin-4-ylphenyl)-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone
CID 157015275
N-(1,3-benzodioxol-5-yl)-2-(2-methyltetrazol-5-yl)morpholine-4-carboxamide
CID 162637516
methyl 4-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]butanoate
CID 163312715
2-ethyl-4-methyl-5-[2-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 162631231
(4aS,8aR)-1-(2-aminoethyl)-6-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one;hydrochloride
CID 154886159
imidazo[2,1-b][1,3]thiazol-6-yl-(4-phenylpiperazin-1-yl)methanone
CID 110853246
imidazo[2,1-b][1,3]thiazol-6-yl-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 135107101
2-[(4aS,8aS)-4a-(hydroxymethyl)-7-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-1-yl]acetic acid
CID 135098986

Frequently Asked Questions

What is the IUPAC name of imidazo[2,1-b][1,3]thiazol-6-yl-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone?
The IUPAC name of imidazo[2,1-b][1,3]thiazol-6-yl-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone (CID 157013598) is imidazo[2,1-b][1,3]thiazol-6-yl-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone.
What is the SMILES notation for imidazo[2,1-b][1,3]thiazol-6-yl-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone?
The canonical SMILES for imidazo[2,1-b][1,3]thiazol-6-yl-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone is Cn1nnc(C2CN(C(=O)c3cn4ccsc4n3)CCO2)n1.
What is the InChIKey of imidazo[2,1-b][1,3]thiazol-6-yl-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone?
The InChIKey is RPJNGHOESBSPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7O2S/c1-17-15-10(14-16-17)9-7-18(2-4-21-9)11(20)8-6-19-3-5-22-12(19)13-8/h3,5-6,9H,2,4,7H2,1H3.
What are the key properties of imidazo[2,1-b][1,3]thiazol-6-yl-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone?
imidazo[2,1-b][1,3]thiazol-6-yl-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone has a molecular weight of 319.35 g/mol, XLogP of 0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[2,1-b][1,3]thiazol-6-yl-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 157013598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).