1-[(3-hydroxycyclohexyl)methyl]-3-(5-propyl-1,3-thiazol-2-yl)urea

C14H23N3O2S — CID 84596554

IUPAC1-[(3-hydroxycyclohexyl)methyl]-3-(5-propyl-1,3-thiazol-2-yl)urea
SMILESCCCc1cnc(NC(=O)NCC2CCCC(O)C2)s1
InChIInChI=1S/C14H23N3O2S/c1-2-4-12-9-16-14(20-12)17-13(19)15-8-10-5-3-6-11(18)7-10/h9-11,18H,2-8H2,1H3,(H2,15,16,17,19)
InChIKeyGNSYNYRGJXOLDW-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.77
Rot. Bonds5

About 1-[(3-hydroxycyclohexyl)methyl]-3-(5-propyl-1,3-thiazol-2-yl)urea

1-[(3-hydroxycyclohexyl)methyl]-3-(5-propyl-1,3-thiazol-2-yl)urea (PubChem CID 84596554) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-[(3-hydroxycyclohexyl)methyl]-3-(5-propyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(3-hydroxycyclohexyl)methyl]-3-(5-propyl-1,3-thiazol-2-yl)urea
PubChem CID84596554
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name1-[(3-hydroxycyclohexyl)methyl]-3-(5-propyl-1,3-thiazol-2-yl)urea
SMILESCCCc1cnc(NC(=O)NCC2CCCC(O)C2)s1
InChIInChI=1S/C14H23N3O2S/c1-2-4-12-9-16-14(20-12)17-13(19)15-8-10-5-3-6-11(18)7-10/h9-11,18H,2-8H2,1H3,(H2,15,16,17,19)
InChIKeyGNSYNYRGJXOLDW-UHFFFAOYSA-N
XLogP2.77
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxycyclohexyl)methyl]-3-(5-propyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[(3-hydroxycyclohexyl)methyl]-3-(5-propyl-1,3-thiazol-2-yl)urea (CID 84596554) is 1-[(3-hydroxycyclohexyl)methyl]-3-(5-propyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[(3-hydroxycyclohexyl)methyl]-3-(5-propyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[(3-hydroxycyclohexyl)methyl]-3-(5-propyl-1,3-thiazol-2-yl)urea is CCCc1cnc(NC(=O)NCC2CCCC(O)C2)s1.
What is the InChIKey of 1-[(3-hydroxycyclohexyl)methyl]-3-(5-propyl-1,3-thiazol-2-yl)urea?
The InChIKey is GNSYNYRGJXOLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-2-4-12-9-16-14(20-12)17-13(19)15-8-10-5-3-6-11(18)7-10/h9-11,18H,2-8H2,1H3,(H2,15,16,17,19).
What are the key properties of 1-[(3-hydroxycyclohexyl)methyl]-3-(5-propyl-1,3-thiazol-2-yl)urea?
1-[(3-hydroxycyclohexyl)methyl]-3-(5-propyl-1,3-thiazol-2-yl)urea has a molecular weight of 297.42 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxycyclohexyl)methyl]-3-(5-propyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 84596554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).