3-cyclooctyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea

C15H25N3OS — CID 47455518

IUPAC3-cyclooctyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
SMILESCc1nc(CN(C)C(=O)NC2CCCCCCC2)cs1
InChIInChI=1S/C15H25N3OS/c1-12-16-14(11-20-12)10-18(2)15(19)17-13-8-6-4-3-5-7-9-13/h11,13H,3-10H2,1-2H3,(H,17,19)
InChIKeyBKIHNXJSWAKBNC-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.71
Rot. Bonds3

About 3-cyclooctyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea

3-cyclooctyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea (PubChem CID 47455518) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 3-cyclooctyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea.

Molecular Properties

Compound Name3-cyclooctyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
PubChem CID47455518
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name3-cyclooctyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
SMILESCc1nc(CN(C)C(=O)NC2CCCCCCC2)cs1
InChIInChI=1S/C15H25N3OS/c1-12-16-14(11-20-12)10-18(2)15(19)17-13-8-6-4-3-5-7-9-13/h11,13H,3-10H2,1-2H3,(H,17,19)
InChIKeyBKIHNXJSWAKBNC-UHFFFAOYSA-N
XLogP3.71
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1R,3R)-3-ethylsulfanylcyclohexyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 97058866
1-methyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 71868005
3-cyclohexyl-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 115619023
N-cyclopentyl-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 16908989
3-[3-(cyclohexyloxymethyl)phenyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 86856207
5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 102688383
N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine
CID 28780749
1-cyclopropyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propan-2-ylurea
CID 110747823
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentanecarboximidamide
CID 63177176
1-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119841638
N-cyclopentyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 38204358
N-(2-hydroxycycloheptyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 113394918

Frequently Asked Questions

What is the IUPAC name of 3-cyclooctyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The IUPAC name of 3-cyclooctyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea (CID 47455518) is 3-cyclooctyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea.
What is the SMILES notation for 3-cyclooctyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The canonical SMILES for 3-cyclooctyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea is Cc1nc(CN(C)C(=O)NC2CCCCCCC2)cs1.
What is the InChIKey of 3-cyclooctyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The InChIKey is BKIHNXJSWAKBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-12-16-14(11-20-12)10-18(2)15(19)17-13-8-6-4-3-5-7-9-13/h11,13H,3-10H2,1-2H3,(H,17,19).
What are the key properties of 3-cyclooctyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
3-cyclooctyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea has a molecular weight of 295.45 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclooctyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea is sourced from PubChem (CID 47455518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).