2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-piperidin-4-ylamino]acetamide

C12H19N5O2S — CID 60800010

IUPAC2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-piperidin-4-ylamino]acetamide
SMILESNC(=O)CN(CC(=O)Nc1nccs1)C1CCNCC1
InChIInChI=1S/C12H19N5O2S/c13-10(18)7-17(9-1-3-14-4-2-9)8-11(19)16-12-15-5-6-20-12/h5-6,9,14H,1-4,7-8H2,(H2,13,18)(H,15,16,19)
InChIKeyOWYUMHIBVRZDHF-UHFFFAOYSA-N
MW297.38 g/mol
LogP-0.38
Rot. Bonds6

About 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-piperidin-4-ylamino]acetamide

2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-piperidin-4-ylamino]acetamide (PubChem CID 60800010) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-piperidin-4-ylamino]acetamide.

Molecular Properties

Compound Name2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-piperidin-4-ylamino]acetamide
PubChem CID60800010
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC Name2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-piperidin-4-ylamino]acetamide
SMILESNC(=O)CN(CC(=O)Nc1nccs1)C1CCNCC1
InChIInChI=1S/C12H19N5O2S/c13-10(18)7-17(9-1-3-14-4-2-9)8-11(19)16-12-15-5-6-20-12/h5-6,9,14H,1-4,7-8H2,(H2,13,18)(H,15,16,19)
InChIKeyOWYUMHIBVRZDHF-UHFFFAOYSA-N
XLogP-0.38
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[methyl(pyrrolidin-3-yl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 63301676
ethyl 2-[cyclopropyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]acetate
CID 47395347
2-[ethyl(piperidin-3-yl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 63636617
3-piperidin-4-yl-N-(1,3-thiazol-2-yl)propanamide
CID 62212222
2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(1,3-thiazol-2-yl)acetamide
CID 111462226
2-[piperidin-4-yl(1,3-thiazol-5-ylmethyl)amino]acetamide
CID 112641538
1-piperidin-4-yl-1-(1,3-thiazol-2-yl)urea
CID 174458914
2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 106616473
2-[cyclopropylmethyl(dimethylcarbamoyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 814302
2-[cyclohexyl-(2-methoxyacetyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 3290729
N-(1,3-thiazol-2-yl)azetidine-2-carboxamide
CID 130992868
2-(3,5-dioxopyrazolidin-4-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 110703373

Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-piperidin-4-ylamino]acetamide?
The IUPAC name of 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-piperidin-4-ylamino]acetamide (CID 60800010) is 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-piperidin-4-ylamino]acetamide.
What is the SMILES notation for 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-piperidin-4-ylamino]acetamide?
The canonical SMILES for 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-piperidin-4-ylamino]acetamide is NC(=O)CN(CC(=O)Nc1nccs1)C1CCNCC1.
What is the InChIKey of 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-piperidin-4-ylamino]acetamide?
The InChIKey is OWYUMHIBVRZDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c13-10(18)7-17(9-1-3-14-4-2-9)8-11(19)16-12-15-5-6-20-12/h5-6,9,14H,1-4,7-8H2,(H2,13,18)(H,15,16,19).
What are the key properties of 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-piperidin-4-ylamino]acetamide?
2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-piperidin-4-ylamino]acetamide has a molecular weight of 297.38 g/mol, XLogP of -0.38, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-piperidin-4-ylamino]acetamide is sourced from PubChem (CID 60800010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).