1-(2-hydroxy-2-methylpropyl)-3-[(3-methylthiophen-2-yl)methyl]-1-propan-2-ylurea

C14H24N2O2S — CID 75387836

IUPAC1-(2-hydroxy-2-methylpropyl)-3-[(3-methylthiophen-2-yl)methyl]-1-propan-2-ylurea
SMILESCc1ccsc1CNC(=O)N(CC(C)(C)O)C(C)C
InChIInChI=1S/C14H24N2O2S/c1-10(2)16(9-14(4,5)18)13(17)15-8-12-11(3)6-7-19-12/h6-7,10,18H,8-9H2,1-5H3,(H,15,17)
InChIKeyFUUGTLCPPDTYFX-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.75
Rot. Bonds5

About 1-(2-hydroxy-2-methylpropyl)-3-[(3-methylthiophen-2-yl)methyl]-1-propan-2-ylurea

1-(2-hydroxy-2-methylpropyl)-3-[(3-methylthiophen-2-yl)methyl]-1-propan-2-ylurea (PubChem CID 75387836) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 1-(2-hydroxy-2-methylpropyl)-3-[(3-methylthiophen-2-yl)methyl]-1-propan-2-ylurea.

Molecular Properties

Compound Name1-(2-hydroxy-2-methylpropyl)-3-[(3-methylthiophen-2-yl)methyl]-1-propan-2-ylurea
PubChem CID75387836
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name1-(2-hydroxy-2-methylpropyl)-3-[(3-methylthiophen-2-yl)methyl]-1-propan-2-ylurea
SMILESCc1ccsc1CNC(=O)N(CC(C)(C)O)C(C)C
InChIInChI=1S/C14H24N2O2S/c1-10(2)16(9-14(4,5)18)13(17)15-8-12-11(3)6-7-19-12/h6-7,10,18H,8-9H2,1-5H3,(H,15,17)
InChIKeyFUUGTLCPPDTYFX-UHFFFAOYSA-N
XLogP2.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-methylpropyl)-3-[(3-methylthiophen-2-yl)methyl]-1-propan-2-ylurea?
The IUPAC name of 1-(2-hydroxy-2-methylpropyl)-3-[(3-methylthiophen-2-yl)methyl]-1-propan-2-ylurea (CID 75387836) is 1-(2-hydroxy-2-methylpropyl)-3-[(3-methylthiophen-2-yl)methyl]-1-propan-2-ylurea.
What is the SMILES notation for 1-(2-hydroxy-2-methylpropyl)-3-[(3-methylthiophen-2-yl)methyl]-1-propan-2-ylurea?
The canonical SMILES for 1-(2-hydroxy-2-methylpropyl)-3-[(3-methylthiophen-2-yl)methyl]-1-propan-2-ylurea is Cc1ccsc1CNC(=O)N(CC(C)(C)O)C(C)C.
What is the InChIKey of 1-(2-hydroxy-2-methylpropyl)-3-[(3-methylthiophen-2-yl)methyl]-1-propan-2-ylurea?
The InChIKey is FUUGTLCPPDTYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-10(2)16(9-14(4,5)18)13(17)15-8-12-11(3)6-7-19-12/h6-7,10,18H,8-9H2,1-5H3,(H,15,17).
What are the key properties of 1-(2-hydroxy-2-methylpropyl)-3-[(3-methylthiophen-2-yl)methyl]-1-propan-2-ylurea?
1-(2-hydroxy-2-methylpropyl)-3-[(3-methylthiophen-2-yl)methyl]-1-propan-2-ylurea has a molecular weight of 284.43 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-methylpropyl)-3-[(3-methylthiophen-2-yl)methyl]-1-propan-2-ylurea is sourced from PubChem (CID 75387836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).