4-(1-adamantyl)-2-chloro-1,3-thiazole

C13H16ClNS — CID 15504840

IUPAC4-(1-adamantyl)-2-chloro-1,3-thiazole
SMILESClc1nc(C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C13H16ClNS/c14-12-15-11(7-16-12)13-4-8-1-9(5-13)3-10(2-8)6-13/h7-10H,1-6H2
InChIKeyGJJWCZFPUPCMSW-UHFFFAOYSA-N
MW253.80 g/mol
LogP4.26
Rot. Bonds1

About 4-(1-adamantyl)-2-chloro-1,3-thiazole

4-(1-adamantyl)-2-chloro-1,3-thiazole (PubChem CID 15504840) has the molecular formula C13H16ClNS and a molecular weight of 253.80 g/mol. Its IUPAC name is 4-(1-adamantyl)-2-chloro-1,3-thiazole.

Molecular Properties

Compound Name4-(1-adamantyl)-2-chloro-1,3-thiazole
PubChem CID15504840
Molecular FormulaC13H16ClNS
Molecular Weight253.80 g/mol
Exact Mass253.07
IUPAC Name4-(1-adamantyl)-2-chloro-1,3-thiazole
SMILESClc1nc(C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C13H16ClNS/c14-12-15-11(7-16-12)13-4-8-1-9(5-13)3-10(2-8)6-13/h7-10H,1-6H2
InChIKeyGJJWCZFPUPCMSW-UHFFFAOYSA-N
XLogP4.26
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.80
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-adamantyl)-2-chloro-1,3-thiazole?
The IUPAC name of 4-(1-adamantyl)-2-chloro-1,3-thiazole (CID 15504840) is 4-(1-adamantyl)-2-chloro-1,3-thiazole.
What is the SMILES notation for 4-(1-adamantyl)-2-chloro-1,3-thiazole?
The canonical SMILES for 4-(1-adamantyl)-2-chloro-1,3-thiazole is Clc1nc(C23CC4CC(CC(C4)C2)C3)cs1.
What is the InChIKey of 4-(1-adamantyl)-2-chloro-1,3-thiazole?
The InChIKey is GJJWCZFPUPCMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNS/c14-12-15-11(7-16-12)13-4-8-1-9(5-13)3-10(2-8)6-13/h7-10H,1-6H2.
What are the key properties of 4-(1-adamantyl)-2-chloro-1,3-thiazole?
4-(1-adamantyl)-2-chloro-1,3-thiazole has a molecular weight of 253.80 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-adamantyl)-2-chloro-1,3-thiazole is sourced from PubChem (CID 15504840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).