(7'-bromo-3'-chlorospiro[5H-1,3-thiazole-4,5'-chromeno[2,3-c]pyridine]-2-yl)carbamic acid

C15H9BrClN3O3S — CID 89387174

IUPAC(7'-bromo-3'-chlorospiro[5H-1,3-thiazole-4,5'-chromeno[2,3-c]pyridine]-2-yl)carbamic acid
SMILESO=C(O)NC1=NC2(CS1)c1cc(Br)ccc1Oc1cnc(Cl)cc12
InChIInChI=1S/C15H9BrClN3O3S/c16-7-1-2-10-8(3-7)15(6-24-13(20-15)19-14(21)22)9-4-12(17)18-5-11(9)23-10/h1-5H,6H2,(H,19,20)(H,21,22)
InChIKeyNMAKEECOZFAMNQ-UHFFFAOYSA-N
MW426.68 g/mol
LogP4.22
Rot. Bonds

About (7'-bromo-3'-chlorospiro[5H-1,3-thiazole-4,5'-chromeno[2,3-c]pyridine]-2-yl)carbamic acid

(7'-bromo-3'-chlorospiro[5H-1,3-thiazole-4,5'-chromeno[2,3-c]pyridine]-2-yl)carbamic acid (PubChem CID 89387174) has the molecular formula C15H9BrClN3O3S and a molecular weight of 426.68 g/mol. Its IUPAC name is (7'-bromo-3'-chlorospiro[5H-1,3-thiazole-4,5'-chromeno[2,3-c]pyridine]-2-yl)carbamic acid.

Molecular Properties

Compound Name(7'-bromo-3'-chlorospiro[5H-1,3-thiazole-4,5'-chromeno[2,3-c]pyridine]-2-yl)carbamic acid
PubChem CID89387174
Molecular FormulaC15H9BrClN3O3S
Molecular Weight426.68 g/mol
Exact Mass424.92
IUPAC Name(7'-bromo-3'-chlorospiro[5H-1,3-thiazole-4,5'-chromeno[2,3-c]pyridine]-2-yl)carbamic acid
SMILESO=C(O)NC1=NC2(CS1)c1cc(Br)ccc1Oc1cnc(Cl)cc12
InChIInChI=1S/C15H9BrClN3O3S/c16-7-1-2-10-8(3-7)15(6-24-13(20-15)19-14(21)22)9-4-12(17)18-5-11(9)23-10/h1-5H,6H2,(H,19,20)(H,21,22)
InChIKeyNMAKEECOZFAMNQ-UHFFFAOYSA-N
XLogP4.22
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.68
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(4S)-7'-bromo-3'-chlorospiro[5H-1,3-thiazole-4,5'-chromeno[2,3-c]pyridine]-2-yl]carbamate
CID 86658495
N-(7'-bromo-3'-chlorospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-c]pyridine]-2-yl)-4-nitrobenzamide;hydrochloride
CID 86658375
7'-bromo-3'-chlorospiro[6,7-dihydro-2H-1,4-oxazepine-5,5'-chromeno[2,3-c]pyridine]-3-amine
CID 86709320
(5S)-7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine
CID 58465879
(6S)-2-amino-7'-bromo-3'-chloro-3-methylspiro[5H-pyrimidine-6,5'-chromeno[2,3-c]pyridine]-4-one
CID 91819658
7'-bromo-3'-chlorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine;6-chloropyridin-3-ol
CID 160671418
7-bromo-3-chloro-5-prop-1-en-2-ylchromeno[2,3-c]pyridin-5-ol
CID 86761963
(3S)-7'-bromo-3'-chlorospiro[1,2-dihydropyrrole-3,5'-chromeno[2,3-c]pyridine]-5-amine
CID 141263181
N-[7-bromo-3-chloro-5-[2-(cyanomethoxy)ethyl]chromeno[2,3-c]pyridin-5-yl]-2-methylpropane-2-sulfinamide
CID 86709319
N-(2-amino-3'-bromospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-b]pyridine]-7'-yl)-5-chloropyridine-2-carboxamide
CID 78104844
7'-bromo-3'-chloro-9'-fluorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 58466232
[4-(5-bromo-2-fluorophenyl)-4-methyl-1,3-thiazin-2-yl]carbamic acid
CID 118871896

Frequently Asked Questions

What is the IUPAC name of (7'-bromo-3'-chlorospiro[5H-1,3-thiazole-4,5'-chromeno[2,3-c]pyridine]-2-yl)carbamic acid?
The IUPAC name of (7'-bromo-3'-chlorospiro[5H-1,3-thiazole-4,5'-chromeno[2,3-c]pyridine]-2-yl)carbamic acid (CID 89387174) is (7'-bromo-3'-chlorospiro[5H-1,3-thiazole-4,5'-chromeno[2,3-c]pyridine]-2-yl)carbamic acid.
What is the SMILES notation for (7'-bromo-3'-chlorospiro[5H-1,3-thiazole-4,5'-chromeno[2,3-c]pyridine]-2-yl)carbamic acid?
The canonical SMILES for (7'-bromo-3'-chlorospiro[5H-1,3-thiazole-4,5'-chromeno[2,3-c]pyridine]-2-yl)carbamic acid is O=C(O)NC1=NC2(CS1)c1cc(Br)ccc1Oc1cnc(Cl)cc12.
What is the InChIKey of (7'-bromo-3'-chlorospiro[5H-1,3-thiazole-4,5'-chromeno[2,3-c]pyridine]-2-yl)carbamic acid?
The InChIKey is NMAKEECOZFAMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClN3O3S/c16-7-1-2-10-8(3-7)15(6-24-13(20-15)19-14(21)22)9-4-12(17)18-5-11(9)23-10/h1-5H,6H2,(H,19,20)(H,21,22).
What are the key properties of (7'-bromo-3'-chlorospiro[5H-1,3-thiazole-4,5'-chromeno[2,3-c]pyridine]-2-yl)carbamic acid?
(7'-bromo-3'-chlorospiro[5H-1,3-thiazole-4,5'-chromeno[2,3-c]pyridine]-2-yl)carbamic acid has a molecular weight of 426.68 g/mol, XLogP of 4.22, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7'-bromo-3'-chlorospiro[5H-1,3-thiazole-4,5'-chromeno[2,3-c]pyridine]-2-yl)carbamic acid is sourced from PubChem (CID 89387174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).