1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea

C17H30N4OS — CID 56827169

IUPAC1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea
SMILESCCc1nc(CCNC(=O)NCC2CCCN(C(C)C)C2)cs1
InChIInChI=1S/C17H30N4OS/c1-4-16-20-15(12-23-16)7-8-18-17(22)19-10-14-6-5-9-21(11-14)13(2)3/h12-14H,4-11H2,1-3H3,(H2,18,19,22)
InChIKeyWQAYWJMRNIOSBX-UHFFFAOYSA-N
MW338.52 g/mol
LogP2.67
Rot. Bonds7

About 1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea

1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea (PubChem CID 56827169) has the molecular formula C17H30N4OS and a molecular weight of 338.52 g/mol. Its IUPAC name is 1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea
PubChem CID56827169
Molecular FormulaC17H30N4OS
Molecular Weight338.52 g/mol
Exact Mass338.21
IUPAC Name1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea
SMILESCCc1nc(CCNC(=O)NCC2CCCN(C(C)C)C2)cs1
InChIInChI=1S/C17H30N4OS/c1-4-16-20-15(12-23-16)7-8-18-17(22)19-10-14-6-5-9-21(11-14)13(2)3/h12-14H,4-11H2,1-3H3,(H2,18,19,22)
InChIKeyWQAYWJMRNIOSBX-UHFFFAOYSA-N
XLogP2.67
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea with MolForge

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Related Compounds

2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]ethanol
CID 115088933
3-(2-amino-2-oxoethyl)-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide
CID 71865717
N-[2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]ethyl]benzamide
CID 95977877
1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea
CID 95275004
1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea
CID 95275005
1-[(3-hydroxycyclohexyl)methyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea
CID 111505745
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide
CID 52515411
N-methyl-1-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]propan-2-amine
CID 115089019
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111108857
2-[2-(cyclobutylmethylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374104
1-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 95598503
1-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 98763620

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea?
The IUPAC name of 1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea (CID 56827169) is 1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea.
What is the SMILES notation for 1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea?
The canonical SMILES for 1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea is CCc1nc(CCNC(=O)NCC2CCCN(C(C)C)C2)cs1.
What is the InChIKey of 1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea?
The InChIKey is WQAYWJMRNIOSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4OS/c1-4-16-20-15(12-23-16)7-8-18-17(22)19-10-14-6-5-9-21(11-14)13(2)3/h12-14H,4-11H2,1-3H3,(H2,18,19,22).
What are the key properties of 1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea?
1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea has a molecular weight of 338.52 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea is sourced from PubChem (CID 56827169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).