1-[1-(2-amino-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazolidin-2-one

C12H17N5O2S — CID 62787379

IUPAC1-[1-(2-amino-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazolidin-2-one
SMILESNc1nc(C(=O)N2CCC(N3CCNC3=O)CC2)cs1
InChIInChI=1S/C12H17N5O2S/c13-11-15-9(7-20-11)10(18)16-4-1-8(2-5-16)17-6-3-14-12(17)19/h7-8H,1-6H2,(H2,13,15)(H,14,19)
InChIKeyFDVKDQFFVGBLTA-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.36
Rot. Bonds2

About 1-[1-(2-amino-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazolidin-2-one

1-[1-(2-amino-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazolidin-2-one (PubChem CID 62787379) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 1-[1-(2-amino-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(2-amino-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazolidin-2-one
PubChem CID62787379
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name1-[1-(2-amino-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazolidin-2-one
SMILESNc1nc(C(=O)N2CCC(N3CCNC3=O)CC2)cs1
InChIInChI=1S/C12H17N5O2S/c13-11-15-9(7-20-11)10(18)16-4-1-8(2-5-16)17-6-3-14-12(17)19/h7-8H,1-6H2,(H2,13,15)(H,14,19)
InChIKeyFDVKDQFFVGBLTA-UHFFFAOYSA-N
XLogP0.36
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-amino-1,3-thiazol-4-yl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 110483362
(2-amino-1,3-thiazol-4-yl)-(azepan-1-yl)methanone
CID 62793149
[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 62787370
[1-(2-amino-1,3-thiazole-4-carbonyl)piperidin-4-yl]carbamic acid
CID 134208778
(2-amino-1,3-thiazol-4-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63977856
(2-amino-1,3-thiazol-4-yl)-[4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone
CID 125171855
(2-amino-1,3-thiazol-4-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63167267
(2-amino-1,3-thiazol-4-yl)-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]methanone
CID 118774810
ethyl 1-(2-amino-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate
CID 62788546
1-[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]imidazolidin-2-one
CID 103754729
1-[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]imidazolidin-2-one
CID 136578666
1-[1-(4-methoxybenzoyl)piperidin-4-yl]imidazolidin-2-one
CID 134790027

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-amino-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-(2-amino-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazolidin-2-one (CID 62787379) is 1-[1-(2-amino-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-(2-amino-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-(2-amino-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazolidin-2-one is Nc1nc(C(=O)N2CCC(N3CCNC3=O)CC2)cs1.
What is the InChIKey of 1-[1-(2-amino-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazolidin-2-one?
The InChIKey is FDVKDQFFVGBLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c13-11-15-9(7-20-11)10(18)16-4-1-8(2-5-16)17-6-3-14-12(17)19/h7-8H,1-6H2,(H2,13,15)(H,14,19).
What are the key properties of 1-[1-(2-amino-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazolidin-2-one?
1-[1-(2-amino-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazolidin-2-one has a molecular weight of 295.37 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-amino-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 62787379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).