N-[2-(3-methylimidazo[2,1-b][1,3]thiazole-2-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-1,3-thiazole-5-carboxamide

C17H17N5O2S2 — CID 167971918

IUPACN-[2-(3-methylimidazo[2,1-b][1,3]thiazole-2-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-1,3-thiazole-5-carboxamide
SMILESCc1c(C(=O)N2CC3(CC(NC(=O)c4cncs4)C3)C2)sc2nccn12
InChIInChI=1S/C17H17N5O2S2/c1-10-13(26-16-19-2-3-22(10)16)15(24)21-7-17(8-21)4-11(5-17)20-14(23)12-6-18-9-25-12/h2-3,6,9,11H,4-5,7-8H2,1H3,(H,20,23)
InChIKeyAKAPVAOBYPZNDW-UHFFFAOYSA-N
MW387.49 g/mol
LogP2.20
Rot. Bonds3

About N-[2-(3-methylimidazo[2,1-b][1,3]thiazole-2-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-1,3-thiazole-5-carboxamide

N-[2-(3-methylimidazo[2,1-b][1,3]thiazole-2-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-1,3-thiazole-5-carboxamide (PubChem CID 167971918) has the molecular formula C17H17N5O2S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is N-[2-(3-methylimidazo[2,1-b][1,3]thiazole-2-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methylimidazo[2,1-b][1,3]thiazole-2-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-1,3-thiazole-5-carboxamide
PubChem CID167971918
Molecular FormulaC17H17N5O2S2
Molecular Weight387.49 g/mol
Exact Mass387.08
IUPAC NameN-[2-(3-methylimidazo[2,1-b][1,3]thiazole-2-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-1,3-thiazole-5-carboxamide
SMILESCc1c(C(=O)N2CC3(CC(NC(=O)c4cncs4)C3)C2)sc2nccn12
InChIInChI=1S/C17H17N5O2S2/c1-10-13(26-16-19-2-3-22(10)16)15(24)21-7-17(8-21)4-11(5-17)20-14(23)12-6-18-9-25-12/h2-3,6,9,11H,4-5,7-8H2,1H3,(H,20,23)
InChIKeyAKAPVAOBYPZNDW-UHFFFAOYSA-N
XLogP2.20
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 154736522
3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 154737089
N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-1,3-thiazole-5-carboxamide
CID 110127271
N-[1-(cyanomethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 113233064
3-methylimidazo[2,1-b][1,3]thiazole-2-carboximidamide
CID 83875469
2-methyl-1-(3-methylimidazo[2,1-b][1,3]thiazol-2-yl)propan-1-one
CID 112713651
N'-(1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 139226744
3-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 166245430
N-[2-(imidazo[2,1-b][1,3]thiazole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-methylimidazo[5,1-b][1,3]thiazole-2-carboxamide
CID 167771091
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-1,3-thiazole-5-carboxamide
CID 110125860
(1,3-thiazole-5-carbonylamino)carbamic acid
CID 123379520
5-[4-[(5-methylthiophene-2-carbonyl)amino]piperidine-1-carbonyl]pyrazine-2-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylimidazo[2,1-b][1,3]thiazole-2-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(3-methylimidazo[2,1-b][1,3]thiazole-2-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-1,3-thiazole-5-carboxamide (CID 167971918) is N-[2-(3-methylimidazo[2,1-b][1,3]thiazole-2-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(3-methylimidazo[2,1-b][1,3]thiazole-2-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(3-methylimidazo[2,1-b][1,3]thiazole-2-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-1,3-thiazole-5-carboxamide is Cc1c(C(=O)N2CC3(CC(NC(=O)c4cncs4)C3)C2)sc2nccn12.
What is the InChIKey of N-[2-(3-methylimidazo[2,1-b][1,3]thiazole-2-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is AKAPVAOBYPZNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S2/c1-10-13(26-16-19-2-3-22(10)16)15(24)21-7-17(8-21)4-11(5-17)20-14(23)12-6-18-9-25-12/h2-3,6,9,11H,4-5,7-8H2,1H3,(H,20,23).
What are the key properties of N-[2-(3-methylimidazo[2,1-b][1,3]thiazole-2-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-1,3-thiazole-5-carboxamide?
N-[2-(3-methylimidazo[2,1-b][1,3]thiazole-2-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylimidazo[2,1-b][1,3]thiazole-2-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 167971918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).