1-(1-adamantyl)-3-(5-methyl-1,3-thiazol-2-yl)urea

C15H21N3OS — CID 47103132

IUPAC1-(1-adamantyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
SMILESCc1cnc(NC(=O)NC23CC4CC(CC(C4)C2)C3)s1
InChIInChI=1S/C15H21N3OS/c1-9-8-16-14(20-9)17-13(19)18-15-5-10-2-11(6-15)4-12(3-10)7-15/h8,10-12H,2-7H2,1H3,(H2,16,17,18,19)
InChIKeyQDNCTWGSGILVRL-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.54
Rot. Bonds2

About 1-(1-adamantyl)-3-(5-methyl-1,3-thiazol-2-yl)urea

1-(1-adamantyl)-3-(5-methyl-1,3-thiazol-2-yl)urea (PubChem CID 47103132) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-(5-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
PubChem CID47103132
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name1-(1-adamantyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
SMILESCc1cnc(NC(=O)NC23CC4CC(CC(C4)C2)C3)s1
InChIInChI=1S/C15H21N3OS/c1-9-8-16-14(20-9)17-13(19)18-15-5-10-2-11(6-15)4-12(3-10)7-15/h8,10-12H,2-7H2,1H3,(H2,16,17,18,19)
InChIKeyQDNCTWGSGILVRL-UHFFFAOYSA-N
XLogP3.54
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-(5-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(1-adamantyl)-3-(5-methyl-1,3-thiazol-2-yl)urea (CID 47103132) is 1-(1-adamantyl)-3-(5-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(1-adamantyl)-3-(5-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(1-adamantyl)-3-(5-methyl-1,3-thiazol-2-yl)urea is Cc1cnc(NC(=O)NC23CC4CC(CC(C4)C2)C3)s1.
What is the InChIKey of 1-(1-adamantyl)-3-(5-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is QDNCTWGSGILVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-9-8-16-14(20-9)17-13(19)18-15-5-10-2-11(6-15)4-12(3-10)7-15/h8,10-12H,2-7H2,1H3,(H2,16,17,18,19).
What are the key properties of 1-(1-adamantyl)-3-(5-methyl-1,3-thiazol-2-yl)urea?
1-(1-adamantyl)-3-(5-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 291.42 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-(5-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 47103132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).