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

C15H25N3OS2 — CID 97058866

IUPAC3-[(1R,3R)-3-ethylsulfanylcyclohexyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
SMILESCCS[C@@H]1CCC[C@@H](NC(=O)N(C)Cc2csc(C)n2)C1
InChIInChI=1S/C15H25N3OS2/c1-4-20-14-7-5-6-12(8-14)17-15(19)18(3)9-13-10-21-11(2)16-13/h10,12,14H,4-9H2,1-3H3,(H,17,19)/t12-,14-/m1/s1
InChIKeyOMSKHYMHQJRVRS-TZMCWYRMSA-N
MW327.52 g/mol
LogP3.66
Rot. Bonds5

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

3-[(1R,3R)-3-ethylsulfanylcyclohexyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea (PubChem CID 97058866) has the molecular formula C15H25N3OS2 and a molecular weight of 327.52 g/mol. Its IUPAC name is 3-[(1R,3R)-3-ethylsulfanylcyclohexyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea.

Molecular Properties

Compound Name3-[(1R,3R)-3-ethylsulfanylcyclohexyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
PubChem CID97058866
Molecular FormulaC15H25N3OS2
Molecular Weight327.52 g/mol
Exact Mass327.14
IUPAC Name3-[(1R,3R)-3-ethylsulfanylcyclohexyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
SMILESCCS[C@@H]1CCC[C@@H](NC(=O)N(C)Cc2csc(C)n2)C1
InChIInChI=1S/C15H25N3OS2/c1-4-20-14-7-5-6-12(8-14)17-15(19)18(3)9-13-10-21-11(2)16-13/h10,12,14H,4-9H2,1-3H3,(H,17,19)/t12-,14-/m1/s1
InChIKeyOMSKHYMHQJRVRS-TZMCWYRMSA-N
XLogP3.66
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.52
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(1R,3R)-3-ethylsulfanylcyclohexyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea with MolForge

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Launch Full Analysis

Related Compounds

1-(1-Methylsulfonylpiperidin-3-yl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 47765236
Methyl 3-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]piperidine-1-carboxylate
CID 53552205
Methyl 3-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]piperidine-1-carboxylate
CID 53610883
1-Cyclopentyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 45829610
1-Cyclohexyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 47139425
1-Cycloheptyl-1-methyl-3-(1,3-thiazol-4-ylmethyl)urea
CID 49549847
1-[(2-Ethyl-1,3-thiazol-4-yl)methyl]-3-(1-methylpiperidin-3-yl)urea
CID 72138961
1-(1-Cyclopropylethyl)-3-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea
CID 75375380
1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 94030417
1-cyclohexyl-1-ethyl-3-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 95760974
N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]azepane-1-carboxamide
CID 95760981
4-methyl-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 124291938

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,3R)-3-ethylsulfanylcyclohexyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The IUPAC name of 3-[(1R,3R)-3-ethylsulfanylcyclohexyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea (CID 97058866) is 3-[(1R,3R)-3-ethylsulfanylcyclohexyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea.
What is the SMILES notation for 3-[(1R,3R)-3-ethylsulfanylcyclohexyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The canonical SMILES for 3-[(1R,3R)-3-ethylsulfanylcyclohexyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea is CCS[C@@H]1CCC[C@@H](NC(=O)N(C)Cc2csc(C)n2)C1.
What is the InChIKey of 3-[(1R,3R)-3-ethylsulfanylcyclohexyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The InChIKey is OMSKHYMHQJRVRS-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H25N3OS2/c1-4-20-14-7-5-6-12(8-14)17-15(19)18(3)9-13-10-21-11(2)16-13/h10,12,14H,4-9H2,1-3H3,(H,17,19)/t12-,14-/m1/s1.
What are the key properties of 3-[(1R,3R)-3-ethylsulfanylcyclohexyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
3-[(1R,3R)-3-ethylsulfanylcyclohexyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea has a molecular weight of 327.52 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,3R)-3-ethylsulfanylcyclohexyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea is sourced from PubChem (CID 97058866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).