[2-(4-oxopiperidin-1-yl)-1,3-thiazol-5-yl]methyl carbamate

C10H13N3O3S — CID 126697202

IUPAC[2-(4-oxopiperidin-1-yl)-1,3-thiazol-5-yl]methyl carbamate
SMILESNC(=O)OCc1cnc(N2CCC(=O)CC2)s1
InChIInChI=1S/C10H13N3O3S/c11-9(15)16-6-8-5-12-10(17-8)13-3-1-7(14)2-4-13/h5H,1-4,6H2,(H2,11,15)
InChIKeyXSMPNTWXIQKJFZ-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.91
Rot. Bonds3

About [2-(4-oxopiperidin-1-yl)-1,3-thiazol-5-yl]methyl carbamate

[2-(4-oxopiperidin-1-yl)-1,3-thiazol-5-yl]methyl carbamate (PubChem CID 126697202) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is [2-(4-oxopiperidin-1-yl)-1,3-thiazol-5-yl]methyl carbamate.

Molecular Properties

Compound Name[2-(4-oxopiperidin-1-yl)-1,3-thiazol-5-yl]methyl carbamate
PubChem CID126697202
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name[2-(4-oxopiperidin-1-yl)-1,3-thiazol-5-yl]methyl carbamate
SMILESNC(=O)OCc1cnc(N2CCC(=O)CC2)s1
InChIInChI=1S/C10H13N3O3S/c11-9(15)16-6-8-5-12-10(17-8)13-3-1-7(14)2-4-13/h5H,1-4,6H2,(H2,11,15)
InChIKeyXSMPNTWXIQKJFZ-UHFFFAOYSA-N
XLogP0.91
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-chloro-1,3-thiazol-5-yl)methyl carbamate
CID 126697211
1-[5-(aminomethyl)-1,3-thiazol-2-yl]-1,4-diazepan-5-one
CID 62999023
5-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole
CID 20664826
1-(5-ethyl-1,3-thiazol-2-yl)-1,4-diazepan-5-one
CID 157138436
[2-(azetidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 130548481
(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanol
CID 62753317
2-(2-morpholin-4-yl-1,3-thiazol-5-yl)acetic acid
CID 82374896
1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]piperidin-4-one
CID 131439506
[2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanamine
CID 62751202
[2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanol
CID 62754366
(3-aminocyclopentyl)-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 119886774
[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62754344

Frequently Asked Questions

What is the IUPAC name of [2-(4-oxopiperidin-1-yl)-1,3-thiazol-5-yl]methyl carbamate?
The IUPAC name of [2-(4-oxopiperidin-1-yl)-1,3-thiazol-5-yl]methyl carbamate (CID 126697202) is [2-(4-oxopiperidin-1-yl)-1,3-thiazol-5-yl]methyl carbamate.
What is the SMILES notation for [2-(4-oxopiperidin-1-yl)-1,3-thiazol-5-yl]methyl carbamate?
The canonical SMILES for [2-(4-oxopiperidin-1-yl)-1,3-thiazol-5-yl]methyl carbamate is NC(=O)OCc1cnc(N2CCC(=O)CC2)s1.
What is the InChIKey of [2-(4-oxopiperidin-1-yl)-1,3-thiazol-5-yl]methyl carbamate?
The InChIKey is XSMPNTWXIQKJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c11-9(15)16-6-8-5-12-10(17-8)13-3-1-7(14)2-4-13/h5H,1-4,6H2,(H2,11,15).
What are the key properties of [2-(4-oxopiperidin-1-yl)-1,3-thiazol-5-yl]methyl carbamate?
[2-(4-oxopiperidin-1-yl)-1,3-thiazol-5-yl]methyl carbamate has a molecular weight of 255.30 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-oxopiperidin-1-yl)-1,3-thiazol-5-yl]methyl carbamate is sourced from PubChem (CID 126697202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).