[1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methylurea

C11H16N4O2S — CID 55142865

IUPAC[1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methylurea
SMILESNC(=O)NCC1CCCN(C(=O)c2cscn2)C1
InChIInChI=1S/C11H16N4O2S/c12-11(17)13-4-8-2-1-3-15(5-8)10(16)9-6-18-7-14-9/h6-8H,1-5H2,(H3,12,13,17)
InChIKeyGPLGBMOAYBYTIZ-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.66
Rot. Bonds3

About [1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methylurea

[1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methylurea (PubChem CID 55142865) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is [1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methylurea.

Molecular Properties

Compound Name[1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methylurea
PubChem CID55142865
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name[1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methylurea
SMILESNC(=O)NCC1CCCN(C(=O)c2cscn2)C1
InChIInChI=1S/C11H16N4O2S/c12-11(17)13-4-8-2-1-3-15(5-8)10(16)9-6-18-7-14-9/h6-8H,1-5H2,(H3,12,13,17)
InChIKeyGPLGBMOAYBYTIZ-UHFFFAOYSA-N
XLogP0.66
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethoxy-N-[[(3R)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide
CID 42216109
[1-(4-chloropyridine-2-carbonyl)piperidin-3-yl]methylurea
CID 61053200
[3-(methylaminomethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63263187
[1-(5-aminopyridine-2-carbonyl)piperidin-3-yl]methylurea
CID 81317323
[1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]methylurea
CID 61053733
[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 125010946
N-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 63049614
[1-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]methylurea
CID 66388331
1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid
CID 63023722
[(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 124967130
(3-pyrrolidin-1-ylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 63049254
[1-(6-fluoropyridine-3-carbonyl)piperidin-3-yl]methylurea
CID 63978957

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methylurea?
The IUPAC name of [1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methylurea (CID 55142865) is [1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methylurea.
What is the SMILES notation for [1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methylurea?
The canonical SMILES for [1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methylurea is NC(=O)NCC1CCCN(C(=O)c2cscn2)C1.
What is the InChIKey of [1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methylurea?
The InChIKey is GPLGBMOAYBYTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c12-11(17)13-4-8-2-1-3-15(5-8)10(16)9-6-18-7-14-9/h6-8H,1-5H2,(H3,12,13,17).
What are the key properties of [1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methylurea?
[1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methylurea has a molecular weight of 268.34 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methylurea is sourced from PubChem (CID 55142865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).