N-chloro-1-[2-(1,3-oxazol-2-yl)-1,3-thiazol-5-yl]methanamine

C7H6ClN3OS — CID 126719236

IUPACN-chloro-1-[2-(1,3-oxazol-2-yl)-1,3-thiazol-5-yl]methanamine
SMILESClNCc1cnc(-c2ncco2)s1
InChIInChI=1S/C7H6ClN3OS/c8-11-4-5-3-10-7(13-5)6-9-1-2-12-6/h1-3,11H,4H2
InChIKeyKBZQRBVBUJIMAC-UHFFFAOYSA-N
MW215.67 g/mol
LogP2.04
Rot. Bonds3

About N-chloro-1-[2-(1,3-oxazol-2-yl)-1,3-thiazol-5-yl]methanamine

N-chloro-1-[2-(1,3-oxazol-2-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 126719236) has the molecular formula C7H6ClN3OS and a molecular weight of 215.67 g/mol. Its IUPAC name is N-chloro-1-[2-(1,3-oxazol-2-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-chloro-1-[2-(1,3-oxazol-2-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID126719236
Molecular FormulaC7H6ClN3OS
Molecular Weight215.67 g/mol
Exact Mass214.99
IUPAC NameN-chloro-1-[2-(1,3-oxazol-2-yl)-1,3-thiazol-5-yl]methanamine
SMILESClNCc1cnc(-c2ncco2)s1
InChIInChI=1S/C7H6ClN3OS/c8-11-4-5-3-10-7(13-5)6-9-1-2-12-6/h1-3,11H,4H2
InChIKeyKBZQRBVBUJIMAC-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-chloro-1-[2-(1,3-oxazol-2-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of N-chloro-1-[2-(1,3-oxazol-2-yl)-1,3-thiazol-5-yl]methanamine (CID 126719236) is N-chloro-1-[2-(1,3-oxazol-2-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for N-chloro-1-[2-(1,3-oxazol-2-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for N-chloro-1-[2-(1,3-oxazol-2-yl)-1,3-thiazol-5-yl]methanamine is ClNCc1cnc(-c2ncco2)s1.
What is the InChIKey of N-chloro-1-[2-(1,3-oxazol-2-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is KBZQRBVBUJIMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3OS/c8-11-4-5-3-10-7(13-5)6-9-1-2-12-6/h1-3,11H,4H2.
What are the key properties of N-chloro-1-[2-(1,3-oxazol-2-yl)-1,3-thiazol-5-yl]methanamine?
N-chloro-1-[2-(1,3-oxazol-2-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 215.67 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-1-[2-(1,3-oxazol-2-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 126719236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).