5-(1-adamantyl)-2-methyl-1,3-thiazole

C14H19NS — CID 4096176

IUPAC5-(1-adamantyl)-2-methyl-1,3-thiazole
SMILESCc1ncc(C23CC4CC(CC(C4)C2)C3)s1
InChIInChI=1S/C14H19NS/c1-9-15-8-13(16-9)14-5-10-2-11(6-14)4-12(3-10)7-14/h8,10-12H,2-7H2,1H3
InChIKeyDVEVKSLRBSUMCI-UHFFFAOYSA-N
MW233.38 g/mol
LogP3.92
Rot. Bonds1

About 5-(1-adamantyl)-2-methyl-1,3-thiazole

5-(1-adamantyl)-2-methyl-1,3-thiazole (PubChem CID 4096176) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is 5-(1-adamantyl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(1-adamantyl)-2-methyl-1,3-thiazole
PubChem CID4096176
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC Name5-(1-adamantyl)-2-methyl-1,3-thiazole
SMILESCc1ncc(C23CC4CC(CC(C4)C2)C3)s1
InChIInChI=1S/C14H19NS/c1-9-15-8-13(16-9)14-5-10-2-11(6-14)4-12(3-10)7-14/h8,10-12H,2-7H2,1H3
InChIKeyDVEVKSLRBSUMCI-UHFFFAOYSA-N
XLogP3.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-adamantyl)-2-methyl-1,3-thiazole?
The IUPAC name of 5-(1-adamantyl)-2-methyl-1,3-thiazole (CID 4096176) is 5-(1-adamantyl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-(1-adamantyl)-2-methyl-1,3-thiazole?
The canonical SMILES for 5-(1-adamantyl)-2-methyl-1,3-thiazole is Cc1ncc(C23CC4CC(CC(C4)C2)C3)s1.
What is the InChIKey of 5-(1-adamantyl)-2-methyl-1,3-thiazole?
The InChIKey is DVEVKSLRBSUMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-9-15-8-13(16-9)14-5-10-2-11(6-14)4-12(3-10)7-14/h8,10-12H,2-7H2,1H3.
What are the key properties of 5-(1-adamantyl)-2-methyl-1,3-thiazole?
5-(1-adamantyl)-2-methyl-1,3-thiazole has a molecular weight of 233.38 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-adamantyl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 4096176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).