1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(3R)-2-oxopiperidin-3-yl]urea

C12H18N4O2S — CID 96996716

IUPAC1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(3R)-2-oxopiperidin-3-yl]urea
SMILESCCc1cnc(CNC(=O)N[C@@H]2CCCNC2=O)s1
InChIInChI=1S/C12H18N4O2S/c1-2-8-6-14-10(19-8)7-15-12(18)16-9-4-3-5-13-11(9)17/h6,9H,2-5,7H2,1H3,(H,13,17)(H2,15,16,18)/t9-/m1/s1
InChIKeyHJYWTYRPDCFSBV-SECBINFHSA-N
MW282.37 g/mol
LogP0.78
Rot. Bonds4

About 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(3R)-2-oxopiperidin-3-yl]urea

1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(3R)-2-oxopiperidin-3-yl]urea (PubChem CID 96996716) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(3R)-2-oxopiperidin-3-yl]urea.

Molecular Properties

Compound Name1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(3R)-2-oxopiperidin-3-yl]urea
PubChem CID96996716
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(3R)-2-oxopiperidin-3-yl]urea
SMILESCCc1cnc(CNC(=O)N[C@@H]2CCCNC2=O)s1
InChIInChI=1S/C12H18N4O2S/c1-2-8-6-14-10(19-8)7-15-12(18)16-9-4-3-5-13-11(9)17/h6,9H,2-5,7H2,1H3,(H,13,17)(H2,15,16,18)/t9-/m1/s1
InChIKeyHJYWTYRPDCFSBV-SECBINFHSA-N
XLogP0.78
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 103814867
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119896093
1-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 103814833
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide
CID 103822331
3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]azepan-2-one
CID 113251290
1-(2-oxoazepan-3-yl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 51084223
1-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-(2-oxoazepan-3-yl)urea
CID 51084089
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(3R)-2-oxoazepan-3-yl]urea
CID 94058445
1-[(3R)-2-oxopiperidin-3-yl]-3-[(4-pyridin-3-ylphenyl)methyl]urea
CID 97078513
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]azepane-1-carboxamide
CID 71867664
ethyl 2-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoylamino]acetate
CID 113245875
1-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]-3-(2-oxopiperidin-3-yl)urea
CID 154745564

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(3R)-2-oxopiperidin-3-yl]urea?
The IUPAC name of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(3R)-2-oxopiperidin-3-yl]urea (CID 96996716) is 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(3R)-2-oxopiperidin-3-yl]urea.
What is the SMILES notation for 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(3R)-2-oxopiperidin-3-yl]urea?
The canonical SMILES for 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(3R)-2-oxopiperidin-3-yl]urea is CCc1cnc(CNC(=O)N[C@@H]2CCCNC2=O)s1.
What is the InChIKey of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(3R)-2-oxopiperidin-3-yl]urea?
The InChIKey is HJYWTYRPDCFSBV-SECBINFHSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-2-8-6-14-10(19-8)7-15-12(18)16-9-4-3-5-13-11(9)17/h6,9H,2-5,7H2,1H3,(H,13,17)(H2,15,16,18)/t9-/m1/s1.
What are the key properties of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(3R)-2-oxopiperidin-3-yl]urea?
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(3R)-2-oxopiperidin-3-yl]urea has a molecular weight of 282.37 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(3R)-2-oxopiperidin-3-yl]urea is sourced from PubChem (CID 96996716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).