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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Related Compounds

1-(2-bromo-1,3-thiazol-5-yl)-N-chloromethanamine
CID 89060823
4-[4-[5-[(chloroamino)methyl]-1,3-thiazol-2-yl]phenoxy]butan-1-amine
CID 126719860
2-(2-phenyl-1,3-thiazol-5-yl)-1,3-oxazole
CID 173298635
N-[[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 115528167
N-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 61282727
2-(1H-pyrazol-5-yl)-1,3-oxazole
CID 22142165
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-pyridin-4-ylmethanamine
CID 63032797
N-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 61281155
N-[(2-pyridin-4-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82422667
N-[(2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 63986645
1-[4-chloro-1-methyl-5-(1,3-oxazol-2-yl)pyrazol-3-yl]-N-methylmethanamine
CID 71081573
1-[2-(5-ethylthiophen-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62318685

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).