1-(2-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)urea

C15H21N3OS — CID 71603058

IUPAC1-(2-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCc1csc(NC(=O)NC2C3CC4CC(C3)CC2C4)n1
InChIInChI=1S/C15H21N3OS/c1-8-7-20-15(16-8)18-14(19)17-13-11-3-9-2-10(5-11)6-12(13)4-9/h7,9-13H,2-6H2,1H3,(H2,16,17,18,19)
InChIKeyBZWAQJJUJUGDCR-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.40
Rot. Bonds2

About 1-(2-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)urea

1-(2-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)urea (PubChem CID 71603058) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-(2-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(2-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
PubChem CID71603058
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name1-(2-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCc1csc(NC(=O)NC2C3CC4CC(C3)CC2C4)n1
InChIInChI=1S/C15H21N3OS/c1-8-7-20-15(16-8)18-14(19)17-13-11-3-9-2-10(5-11)6-12(13)4-9/h7,9-13H,2-6H2,1H3,(H2,16,17,18,19)
InChIKeyBZWAQJJUJUGDCR-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(2-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)urea (CID 71603058) is 1-(2-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(2-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(2-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)urea is Cc1csc(NC(=O)NC2C3CC4CC(C3)CC2C4)n1.
What is the InChIKey of 1-(2-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is BZWAQJJUJUGDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-8-7-20-15(16-8)18-14(19)17-13-11-3-9-2-10(5-11)6-12(13)4-9/h7,9-13H,2-6H2,1H3,(H2,16,17,18,19).
What are the key properties of 1-(2-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)urea?
1-(2-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 291.42 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 71603058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).