N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

C16H19N7O2S — CID 136930418

IUPACN-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESNc1nc(N2CCC(NC(=O)Cc3cn4ccsc4n3)CC2)cc(=O)[nH]1
InChIInChI=1S/C16H19N7O2S/c17-15-20-12(8-14(25)21-15)22-3-1-10(2-4-22)18-13(24)7-11-9-23-5-6-26-16(23)19-11/h5-6,8-10H,1-4,7H2,(H,18,24)(H3,17,20,21,25)
InChIKeyFBBVVFBVQABQNN-UHFFFAOYSA-N
MW373.44 g/mol
LogP0.39
Rot. Bonds4

About N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (PubChem CID 136930418) has the molecular formula C16H19N7O2S and a molecular weight of 373.44 g/mol. Its IUPAC name is N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.

Molecular Properties

Compound NameN-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
PubChem CID136930418
Molecular FormulaC16H19N7O2S
Molecular Weight373.44 g/mol
Exact Mass373.13
IUPAC NameN-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESNc1nc(N2CCC(NC(=O)Cc3cn4ccsc4n3)CC2)cc(=O)[nH]1
InChIInChI=1S/C16H19N7O2S/c17-15-20-12(8-14(25)21-15)22-3-1-10(2-4-22)18-13(24)7-11-9-23-5-6-26-16(23)19-11/h5-6,8-10H,1-4,7H2,(H,18,24)(H3,17,20,21,25)
InChIKeyFBBVVFBVQABQNN-UHFFFAOYSA-N
XLogP0.39
TPSA121.41 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1-cycloheptylpiperidin-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 45244043
N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 163316234
2-amino-4-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one
CID 135933881
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide
CID 70738538
N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 45209828
N-cyclopropyl-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butanamide
CID 115331723
N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-ethoxypyridine-3-carboxamide
CID 136988419
(2R)-N-cyclopentyl-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxamide
CID 97221750
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-pyrrolidin-3-ylethanone
CID 116568454
6-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]pyridine-2-carboxamide
CID 71873494
1-(4-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 116557487
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-oxopyrrolidine-2-carboxylic acid
CID 113288923

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The IUPAC name of N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (CID 136930418) is N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.
What is the SMILES notation for N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The canonical SMILES for N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is Nc1nc(N2CCC(NC(=O)Cc3cn4ccsc4n3)CC2)cc(=O)[nH]1.
What is the InChIKey of N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The InChIKey is FBBVVFBVQABQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O2S/c17-15-20-12(8-14(25)21-15)22-3-1-10(2-4-22)18-13(24)7-11-9-23-5-6-26-16(23)19-11/h5-6,8-10H,1-4,7H2,(H,18,24)(H3,17,20,21,25).
What are the key properties of N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide has a molecular weight of 373.44 g/mol, XLogP of 0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is sourced from PubChem (CID 136930418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).