1-piperidin-4-yl-1-(1,3-thiazol-2-yl)urea

C9H14N4OS — CID 174458914

IUPAC1-piperidin-4-yl-1-(1,3-thiazol-2-yl)urea
SMILESNC(=O)N(c1nccs1)C1CCNCC1
InChIInChI=1S/C9H14N4OS/c10-8(14)13(9-12-5-6-15-9)7-1-3-11-4-2-7/h5-7,11H,1-4H2,(H2,10,14)
InChIKeyBVGBGUXOIQFLNO-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.78
Rot. Bonds2

About 1-piperidin-4-yl-1-(1,3-thiazol-2-yl)urea

1-piperidin-4-yl-1-(1,3-thiazol-2-yl)urea (PubChem CID 174458914) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-piperidin-4-yl-1-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-piperidin-4-yl-1-(1,3-thiazol-2-yl)urea
PubChem CID174458914
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name1-piperidin-4-yl-1-(1,3-thiazol-2-yl)urea
SMILESNC(=O)N(c1nccs1)C1CCNCC1
InChIInChI=1S/C9H14N4OS/c10-8(14)13(9-12-5-6-15-9)7-1-3-11-4-2-7/h5-7,11H,1-4H2,(H2,10,14)
InChIKeyBVGBGUXOIQFLNO-UHFFFAOYSA-N
XLogP0.78
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N1-Cyclopentyl-N2-(thiazol-2-YL)oxalamide
CID 2255489
1-Cyclohexyl-3-(2-thiazolyl)urea
CID 307028
N-cyclohexyl-1-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 656358
2-(4-Acetylamino-piperidin-1-yl)-N-thiazol-2-yl-acetamide
CID 3220976
2-(1,3-Thiazol-2-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 44427091
N-cyclopentyl-1-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 1448188
1-[2-(1-Piperidyl)ethyl]-3-thiazol-2-yl-thiourea
CID 3003035
Cyclohexyl-thiazol-2-yl-amine
CID 842041
N-(1,3-thiazol-2-yl)piperidin-4-amine
CID 43345808
1-(1,3-Thiazol-2-yl)piperidin-4-amine
CID 43430566
N-(methylcarbamoyl)-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 37258865
N-carbamoyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 45802998

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-1-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-piperidin-4-yl-1-(1,3-thiazol-2-yl)urea (CID 174458914) is 1-piperidin-4-yl-1-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-piperidin-4-yl-1-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-piperidin-4-yl-1-(1,3-thiazol-2-yl)urea is NC(=O)N(c1nccs1)C1CCNCC1.
What is the InChIKey of 1-piperidin-4-yl-1-(1,3-thiazol-2-yl)urea?
The InChIKey is BVGBGUXOIQFLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c10-8(14)13(9-12-5-6-15-9)7-1-3-11-4-2-7/h5-7,11H,1-4H2,(H2,10,14).
What are the key properties of 1-piperidin-4-yl-1-(1,3-thiazol-2-yl)urea?
1-piperidin-4-yl-1-(1,3-thiazol-2-yl)urea has a molecular weight of 226.30 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-1-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 174458914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).