1-cyclohexyl-3-[4-(3-oxo-3-piperidin-1-ylpropyl)-1,3-thiazol-2-yl]urea

C18H28N4O2S — CID 27454274

IUPAC1-cyclohexyl-3-[4-(3-oxo-3-piperidin-1-ylpropyl)-1,3-thiazol-2-yl]urea
SMILESO=C(Nc1nc(CCC(=O)N2CCCCC2)cs1)NC1CCCCC1
InChIInChI=1S/C18H28N4O2S/c23-16(22-11-5-2-6-12-22)10-9-15-13-25-18(20-15)21-17(24)19-14-7-3-1-4-8-14/h13-14H,1-12H2,(H2,19,20,21,24)
InChIKeyGEMPIGCTIKTCBB-UHFFFAOYSA-N
MW364.52 g/mol
LogP3.54
Rot. Bonds5

About 1-cyclohexyl-3-[4-(3-oxo-3-piperidin-1-ylpropyl)-1,3-thiazol-2-yl]urea

1-cyclohexyl-3-[4-(3-oxo-3-piperidin-1-ylpropyl)-1,3-thiazol-2-yl]urea (PubChem CID 27454274) has the molecular formula C18H28N4O2S and a molecular weight of 364.52 g/mol. Its IUPAC name is 1-cyclohexyl-3-[4-(3-oxo-3-piperidin-1-ylpropyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[4-(3-oxo-3-piperidin-1-ylpropyl)-1,3-thiazol-2-yl]urea
PubChem CID27454274
Molecular FormulaC18H28N4O2S
Molecular Weight364.52 g/mol
Exact Mass364.19
IUPAC Name1-cyclohexyl-3-[4-(3-oxo-3-piperidin-1-ylpropyl)-1,3-thiazol-2-yl]urea
SMILESO=C(Nc1nc(CCC(=O)N2CCCCC2)cs1)NC1CCCCC1
InChIInChI=1S/C18H28N4O2S/c23-16(22-11-5-2-6-12-22)10-9-15-13-25-18(20-15)21-17(24)19-14-7-3-1-4-8-14/h13-14H,1-12H2,(H2,19,20,21,24)
InChIKeyGEMPIGCTIKTCBB-UHFFFAOYSA-N
XLogP3.54
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 32864406
1-[3-[(4-Methyl-1,3-thiazol-2-yl)carbamoylamino]propyl]piperidine-4-carboxamide
CID 48779494
1-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-N,N-dimethyl-4-azepanamine
CID 56905662
(3S)-1-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-N,N-dimethylazepan-3-amine
CID 70778764
N-[4-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-2-yl]acetamide
CID 73439355
N-[4-(1-acetylpiperidin-4-yl)-1,3-thiazol-2-yl]acetamide
CID 95828294
N-[4-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide
CID 95828345
N-(4-(2-(cyclohexylamino)-2-oxoethyl)thiazol-2-yl)pivalamide
CID 18568228
3-{2-[(cyclohexylcarbamoyl)amino]-1,3-thiazol-4-yl}-N-methylpropanamide
CID 27377329
N-(2-(cyclohex-1-en-1-yl)ethyl)-3-(2-(3-cyclohexylureido)thiazol-4-yl)propanamide
CID 27377343
3-{2-[(cyclohexylcarbamoyl)amino]-1,3-thiazol-4-yl}-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 27454367
Ethyl 1-(3-(2-(3-cyclohexylureido)thiazol-4-yl)propanoyl)piperidine-4-carboxylate
CID 44061472

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[4-(3-oxo-3-piperidin-1-ylpropyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[4-(3-oxo-3-piperidin-1-ylpropyl)-1,3-thiazol-2-yl]urea (CID 27454274) is 1-cyclohexyl-3-[4-(3-oxo-3-piperidin-1-ylpropyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[4-(3-oxo-3-piperidin-1-ylpropyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[4-(3-oxo-3-piperidin-1-ylpropyl)-1,3-thiazol-2-yl]urea is O=C(Nc1nc(CCC(=O)N2CCCCC2)cs1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[4-(3-oxo-3-piperidin-1-ylpropyl)-1,3-thiazol-2-yl]urea?
The InChIKey is GEMPIGCTIKTCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2S/c23-16(22-11-5-2-6-12-22)10-9-15-13-25-18(20-15)21-17(24)19-14-7-3-1-4-8-14/h13-14H,1-12H2,(H2,19,20,21,24).
What are the key properties of 1-cyclohexyl-3-[4-(3-oxo-3-piperidin-1-ylpropyl)-1,3-thiazol-2-yl]urea?
1-cyclohexyl-3-[4-(3-oxo-3-piperidin-1-ylpropyl)-1,3-thiazol-2-yl]urea has a molecular weight of 364.52 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[4-(3-oxo-3-piperidin-1-ylpropyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 27454274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).