2-chloro-5-(cyclopropylmethoxymethyl)-1,3-thiazole

C8H10ClNOS — CID 79764363

IUPAC2-chloro-5-(cyclopropylmethoxymethyl)-1,3-thiazole
SMILESClc1ncc(COCC2CC2)s1
InChIInChI=1S/C8H10ClNOS/c9-8-10-3-7(12-8)5-11-4-6-1-2-6/h3,6H,1-2,4-5H2
InChIKeyXJGWSEKFGVUNKA-UHFFFAOYSA-N
MW203.69 g/mol
LogP2.72
Rot. Bonds4

About 2-chloro-5-(cyclopropylmethoxymethyl)-1,3-thiazole

2-chloro-5-(cyclopropylmethoxymethyl)-1,3-thiazole (PubChem CID 79764363) has the molecular formula C8H10ClNOS and a molecular weight of 203.69 g/mol. Its IUPAC name is 2-chloro-5-(cyclopropylmethoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-(cyclopropylmethoxymethyl)-1,3-thiazole
PubChem CID79764363
Molecular FormulaC8H10ClNOS
Molecular Weight203.69 g/mol
Exact Mass203.02
IUPAC Name2-chloro-5-(cyclopropylmethoxymethyl)-1,3-thiazole
SMILESClc1ncc(COCC2CC2)s1
InChIInChI=1S/C8H10ClNOS/c9-8-10-3-7(12-8)5-11-4-6-1-2-6/h3,6H,1-2,4-5H2
InChIKeyXJGWSEKFGVUNKA-UHFFFAOYSA-N
XLogP2.72
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.69
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(cyclopropylmethoxymethyl)-1,3-thiazole?
The IUPAC name of 2-chloro-5-(cyclopropylmethoxymethyl)-1,3-thiazole (CID 79764363) is 2-chloro-5-(cyclopropylmethoxymethyl)-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-(cyclopropylmethoxymethyl)-1,3-thiazole?
The canonical SMILES for 2-chloro-5-(cyclopropylmethoxymethyl)-1,3-thiazole is Clc1ncc(COCC2CC2)s1.
What is the InChIKey of 2-chloro-5-(cyclopropylmethoxymethyl)-1,3-thiazole?
The InChIKey is XJGWSEKFGVUNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNOS/c9-8-10-3-7(12-8)5-11-4-6-1-2-6/h3,6H,1-2,4-5H2.
What are the key properties of 2-chloro-5-(cyclopropylmethoxymethyl)-1,3-thiazole?
2-chloro-5-(cyclopropylmethoxymethyl)-1,3-thiazole has a molecular weight of 203.69 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(cyclopropylmethoxymethyl)-1,3-thiazole is sourced from PubChem (CID 79764363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).