1,3,3-trimethyl-2-(1,3-thiazol-5-ylmethyl)bicyclo[2.2.1]heptan-2-ol

C14H21NOS — CID 112642072

IUPAC1,3,3-trimethyl-2-(1,3-thiazol-5-ylmethyl)bicyclo[2.2.1]heptan-2-ol
SMILESCC12CCC(C1)C(C)(C)C2(O)Cc1cncs1
InChIInChI=1S/C14H21NOS/c1-12(2)10-4-5-13(3,6-10)14(12,16)7-11-8-15-9-17-11/h8-10,16H,4-7H2,1-3H3
InChIKeyHWSDAVQFNMCXAK-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.26
Rot. Bonds2

About 1,3,3-trimethyl-2-(1,3-thiazol-5-ylmethyl)bicyclo[2.2.1]heptan-2-ol

1,3,3-trimethyl-2-(1,3-thiazol-5-ylmethyl)bicyclo[2.2.1]heptan-2-ol (PubChem CID 112642072) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 1,3,3-trimethyl-2-(1,3-thiazol-5-ylmethyl)bicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name1,3,3-trimethyl-2-(1,3-thiazol-5-ylmethyl)bicyclo[2.2.1]heptan-2-ol
PubChem CID112642072
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name1,3,3-trimethyl-2-(1,3-thiazol-5-ylmethyl)bicyclo[2.2.1]heptan-2-ol
SMILESCC12CCC(C1)C(C)(C)C2(O)Cc1cncs1
InChIInChI=1S/C14H21NOS/c1-12(2)10-4-5-13(3,6-10)14(12,16)7-11-8-15-9-17-11/h8-10,16H,4-7H2,1-3H3
InChIKeyHWSDAVQFNMCXAK-UHFFFAOYSA-N
XLogP3.26
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-2-(1,3-thiazol-5-ylmethyl)bicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 1,3,3-trimethyl-2-(1,3-thiazol-5-ylmethyl)bicyclo[2.2.1]heptan-2-ol (CID 112642072) is 1,3,3-trimethyl-2-(1,3-thiazol-5-ylmethyl)bicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 1,3,3-trimethyl-2-(1,3-thiazol-5-ylmethyl)bicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 1,3,3-trimethyl-2-(1,3-thiazol-5-ylmethyl)bicyclo[2.2.1]heptan-2-ol is CC12CCC(C1)C(C)(C)C2(O)Cc1cncs1.
What is the InChIKey of 1,3,3-trimethyl-2-(1,3-thiazol-5-ylmethyl)bicyclo[2.2.1]heptan-2-ol?
The InChIKey is HWSDAVQFNMCXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-12(2)10-4-5-13(3,6-10)14(12,16)7-11-8-15-9-17-11/h8-10,16H,4-7H2,1-3H3.
What are the key properties of 1,3,3-trimethyl-2-(1,3-thiazol-5-ylmethyl)bicyclo[2.2.1]heptan-2-ol?
1,3,3-trimethyl-2-(1,3-thiazol-5-ylmethyl)bicyclo[2.2.1]heptan-2-ol has a molecular weight of 251.39 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-2-(1,3-thiazol-5-ylmethyl)bicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 112642072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).