2-chloro-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-4-amine

C7H6ClN3OS — CID 130621882

IUPAC2-chloro-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-4-amine
SMILESClc1nc(NCc2cocn2)cs1
InChIInChI=1S/C7H6ClN3OS/c8-7-11-6(3-13-7)9-1-5-2-12-4-10-5/h2-4,9H,1H2
InChIKeyUMPYTDYKWPQYTL-UHFFFAOYSA-N
MW215.67 g/mol
LogP2.40
Rot. Bonds3

About 2-chloro-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-4-amine

2-chloro-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-4-amine (PubChem CID 130621882) has the molecular formula C7H6ClN3OS and a molecular weight of 215.67 g/mol. Its IUPAC name is 2-chloro-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-chloro-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-4-amine
PubChem CID130621882
Molecular FormulaC7H6ClN3OS
Molecular Weight215.67 g/mol
Exact Mass214.99
IUPAC Name2-chloro-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-4-amine
SMILESClc1nc(NCc2cocn2)cs1
InChIInChI=1S/C7H6ClN3OS/c8-7-11-6(3-13-7)9-1-5-2-12-4-10-5/h2-4,9H,1H2
InChIKeyUMPYTDYKWPQYTL-UHFFFAOYSA-N
XLogP2.40
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.67
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-4-amine?
The IUPAC name of 2-chloro-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-4-amine (CID 130621882) is 2-chloro-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-4-amine.
What is the SMILES notation for 2-chloro-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-4-amine?
The canonical SMILES for 2-chloro-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-4-amine is Clc1nc(NCc2cocn2)cs1.
What is the InChIKey of 2-chloro-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-4-amine?
The InChIKey is UMPYTDYKWPQYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3OS/c8-7-11-6(3-13-7)9-1-5-2-12-4-10-5/h2-4,9H,1H2.
What are the key properties of 2-chloro-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-4-amine?
2-chloro-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-4-amine has a molecular weight of 215.67 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-4-amine is sourced from PubChem (CID 130621882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).